data_2kpq_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 2kpq _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 ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 N--CA 1.465 0.302 0 CA-C-O 121.063 0.459 . . . . 0.0 111.648 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.765 HG13 ' HB ' ' A' ' 32' ' ' VAL . 4.1 p -121.45 111.99 33.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.527 0.68 . . . . 0.0 110.511 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -87.91 145.51 26.01 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.778 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -90.71 -176.91 4.85 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -175.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.404 ' C ' ' HD2' ' A' ' 16' ' ' PRO . 27.8 mm-40 -66.62 -28.7 68.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.217 178.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 14' ' ' GLU . 56.8 tttp 111.61 -55.93 0.0 OUTLIER Pre-proline 0 N--CA 1.48 1.038 0 C-N-CA 125.74 1.616 . . . . 0.0 112.94 175.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.404 ' HD2' ' C ' ' A' ' 14' ' ' GLU . 61.1 Cg_endo -73.47 57.47 3.55 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.749 1.633 . . . . 0.0 113.54 -177.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 45.0 t -112.74 107.31 22.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 177.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.554 ' HB ' ' SD ' ' A' ' 86' ' ' MET . 11.9 m -107.43 122.9 47.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.999 -174.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.6 mm -101.03 119.46 49.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.726 172.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 t -83.83 106.05 15.21 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.1 mt -87.76 126.02 34.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.417 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -62.13 -48.22 81.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.769 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -96.98 15.97 20.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.019 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -139.07 -116.14 1.36 Allowed Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.203 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -158.3 162.77 26.23 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -176.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.22 101.94 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.826 2.351 . . . . 0.0 111.867 172.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -96.85 112.29 24.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.487 -177.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.417 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 59.6 mt -92.66 119.73 40.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.157 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -91.6 153.25 19.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.612 -178.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -108.13 -25.0 11.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.144 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -137.11 155.23 22.69 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.478 -177.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.765 ' HB ' HG13 ' A' ' 11' ' ' VAL . 40.3 t -71.56 -26.28 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.156 0.503 . . . . 0.0 109.915 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -63.89 -35.97 82.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.284 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -65.35 -45.98 82.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.199 0.523 . . . . 0.0 109.799 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.502 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -63.54 -43.74 96.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.248 -178.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -60.01 -42.73 94.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.637 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -67.79 -42.66 81.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.115 0.483 . . . . 0.0 110.323 178.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -58.22 -39.52 79.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.386 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 88.7 mt -59.55 -24.66 63.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.026 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -97.84 -26.74 14.59 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.111 -177.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -76.56 -76.76 0.15 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.81 -176.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -136.04 68.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.12 0.486 . . . . 0.0 111.549 -173.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.1 t-105 -90.1 117.49 68.1 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 171.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -49.9 -71.56 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.765 2.977 . . . . 0.0 113.823 -171.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.18 106.38 15.8 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.0 mtt-85 -62.2 -78.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.69 -174.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.74 -98.49 0.56 Allowed Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.375 -0.917 . . . . 0.0 113.06 169.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.473 ' CG ' ' H ' ' A' ' 49' ' ' ARG . 15.5 t70 -166.93 -139.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -174.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.473 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 61.1 mtt85 -57.21 -35.15 69.3 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.56 -36.73 76.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -64.81 -43.62 92.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.806 175.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -65.49 -37.34 86.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.851 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -59.88 -38.13 81.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.72 177.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.95 -51.48 69.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.553 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.482 HD11 HD13 ' A' ' 39' ' ' LEU . 8.9 mp -63.92 -39.84 95.1 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.956 0.408 . . . . 0.0 110.855 177.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -58.33 -51.14 71.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.138 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.9 -33.85 74.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.414 -177.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 70.9 m -64.38 -36.04 82.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.056 0.455 . . . . 0.0 110.14 175.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -65.41 -41.2 93.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.291 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.25 -31.03 69.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.898 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.3 m -64.27 -31.03 72.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.634 177.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.663 HD23 HG11 ' A' ' 11' ' ' VAL . 92.1 mt -64.19 -26.26 68.44 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.769 178.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 62.7 mtt -83.25 -18.31 39.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.724 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.68 31.39 21.49 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.962 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -110.17 6.37 22.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 111.295 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 64.4 t -133.07 136.71 54.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -92.77 169.12 10.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.62 0.248 . . . . 0.0 110.807 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.13 -59.06 11.51 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.941 -0.572 . . . . 0.0 113.797 -173.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -69.0 -26.82 65.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.819 0.309 . . . . 0.0 110.942 -175.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 61.4 mt -62.79 -56.03 20.04 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 120.882 0.372 . . . . 0.0 110.374 177.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.92 85.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.295 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.47 ' O ' HG22 ' A' ' 76' ' ' VAL . 68.4 ttt180 -57.82 -50.5 73.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.328 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.9 m -61.32 -42.21 98.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.034 0.445 . . . . 0.0 110.765 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.33 -31.91 67.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -64.86 -36.53 84.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.687 177.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 72' ' ' ARG . 89.8 t -66.08 -37.08 78.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.254 176.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 80' ' ' ARG . . . -64.31 -36.96 85.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.783 177.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.63 -41.21 72.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.091 0.472 . . . . 0.0 110.37 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.3 t -65.26 -25.97 67.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.291 177.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.469 ' HB3' ' O ' ' A' ' 77' ' ' ALA . 47.2 ttt180 -62.95 -42.59 99.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.718 176.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -63.96 -38.94 92.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.163 0.506 . . . . 0.0 110.034 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.14 -13.4 60.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.332 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.6 m170 62.28 28.2 16.84 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.103 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.2 t -105.32 29.13 6.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.467 0.651 . . . . 0.0 109.487 -176.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.05 139.54 58.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.04 -175.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.554 ' SD ' ' HB ' ' A' ' 18' ' ' THR . 19.8 ttt . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.348 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 . . . . . 0 CA--C 1.515 -0.37 0 CA-C-O 121.147 0.499 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.0 t -114.16 112.47 40.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.728 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -89.14 142.66 27.45 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 171.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.46 ' CZ3' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -78.85 128.48 33.4 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.782 -179.46 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.06 -48.45 20.78 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -97.6 105.43 26.22 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.518 172.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.45 ' HB2' HG21 ' A' ' 28' ' ' ILE . 31.2 Cg_endo -62.43 150.28 87.92 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 123.13 2.553 . . . . 0.0 113.253 -171.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.525 HG21 ' HG3' ' A' ' 72' ' ' ARG . 43.5 t -103.56 105.91 19.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.953 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 m -95.67 108.38 20.66 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.246 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.57 HD11 ' HZ3' ' A' ' 43' ' ' TRP . 20.5 tt -101.25 132.17 47.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.3 p -101.93 119.7 39.21 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.055 0.455 . . . . 0.0 110.903 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.728 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . 10.4 mp -67.14 164.26 18.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.667 174.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.7 -16.96 64.25 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -170.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -92.89 11.68 26.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.044 0.45 . . . . 0.0 110.793 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.402 ' O ' ' HD3' ' A' ' 26' ' ' PRO . . . 77.37 45.82 10.8 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.053 -0.594 . . . . 0.0 111.93 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.728 ' HB1' ' HB2' ' A' ' 21' ' ' LEU . . . -111.74 97.48 37.51 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-O 120.666 0.269 . . . . 0.0 110.781 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 24' ' ' GLY . 4.9 Cg_exo -76.3 117.8 4.73 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 123.219 2.613 . . . . 0.0 112.104 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.529 HH11 ' HE1' ' A' ' 38' ' ' PHE . 99.3 mtt180 -115.08 117.55 30.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.047 176.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.45 HG21 ' HB2' ' A' ' 16' ' ' PRO . 62.2 mt -91.44 116.82 33.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.583 -176.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.463 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 33.3 m-85 -79.05 127.01 31.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.648 178.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -84.96 -41.92 15.43 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.979 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.41 161.53 21.51 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.804 -0.713 . . . . 0.0 111.88 -178.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.505 HG11 ' HB2' ' A' ' 61' ' ' SER . 78.5 t -62.87 -38.48 81.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.012 0.434 . . . . 0.0 111.343 -178.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -66.52 -33.68 76.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.188 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -65.76 -36.29 83.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.373 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -67.26 -40.31 86.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.404 176.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -62.47 -42.04 99.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.508 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -59.73 -52.42 65.55 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.948 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.529 ' HE1' HH11 ' A' ' 27' ' ' ARG . 84.6 t80 -54.02 -42.07 68.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.471 -178.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.1 mt -61.95 -27.86 69.13 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -176.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -100.87 -27.55 13.26 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.259 -178.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -83.6 -48.13 10.55 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.735 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -139.49 77.86 1.64 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.993 0.425 . . . . 0.0 111.773 -174.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.57 ' HZ3' HD11 ' A' ' 19' ' ' ILE . 60.2 t-105 -111.39 107.31 57.09 Favored Pre-proline 0 C--N 1.318 -0.771 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 173.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -82.75 37.81 0.7 Allowed 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 123.178 2.585 . . . . 0.0 113.289 -173.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.25 -171.57 2.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.315 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -112.21 -122.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.042 175.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.19 -34.98 3.23 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.243 -0.98 . . . . 0.0 111.58 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.8 t70 58.73 -91.12 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.282 0.633 . . . . 0.0 111.319 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -64.05 -43.55 95.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.708 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.87 -32.16 73.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.84 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 47.3 t60 -70.9 -47.44 59.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.253 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -65.2 -39.28 92.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.894 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.598 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 35.6 tt0 -59.58 -49.01 79.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.641 176.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.489 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -57.74 -41.78 82.55 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.341 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.3 mt -64.08 -43.82 94.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.97 0.414 . . . . 0.0 110.499 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -64.12 -40.01 95.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.083 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 84.7 mt -56.21 -49.84 72.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.414 177.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 55.5 m -65.53 -41.3 93.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.534 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -61.44 -47.49 85.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.717 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.3 -27.93 64.78 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.385 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.505 ' HB2' HG11 ' A' ' 32' ' ' VAL . 61.8 m -70.78 -36.09 72.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.378 177.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.7 mt -68.96 -27.57 65.85 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.437 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 87.2 mtp -72.1 -33.13 67.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.087 175.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.9 20.27 10.87 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.559 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -98.15 -23.63 15.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 122.613 -0.345 . . . . 0.0 111.334 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.474 HG11 ' HB3' ' A' ' 71' ' ' ALA . 60.7 t -101.79 116.84 46.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 176.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.87 65.62 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -175.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.04 -84.12 0.07 OUTLIER Glycine 0 CA--C 1.522 0.524 0 N-CA-C 115.04 0.776 . . . . 0.0 115.04 169.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -66.94 -25.71 66.48 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -170.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.6 mt -59.42 -41.36 84.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.005 0.431 . . . . 0.0 110.205 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.474 ' HB3' HG11 ' A' ' 66' ' ' VAL . . . -72.09 -36.82 69.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.336 177.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.525 ' HG3' HG21 ' A' ' 17' ' ' VAL . 29.0 ttt180 -58.39 -48.3 81.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.425 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.9 m -66.05 -43.67 86.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.064 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.1 -36.01 77.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.244 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -57.86 -49.83 75.36 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.033 0.444 . . . . 0.0 110.147 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 97.0 t -63.73 -41.37 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.561 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.33 -44.03 88.49 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.359 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.6 -34.01 75.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.048 0.452 . . . . 0.0 111.012 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.0 m -76.53 -9.95 59.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.701 -176.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.727 ' HG2' HD12 ' A' ' 85' ' ' LEU . 35.5 mtp180 -64.66 -31.14 72.22 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.779 0.323 . . . . 0.0 110.749 -178.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -67.45 -25.66 66.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.69 -15.98 61.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.674 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 38.9 m80 62.91 37.19 12.22 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.289 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 35.9 t -150.21 92.66 1.9 Allowed 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.619 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.727 HD12 ' HG2' ' A' ' 80' ' ' ARG . 94.4 mt -122.52 178.06 5.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.967 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 91.9 mmm . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.423 176.46 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 CA--C 1.514 -0.41 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.2 t -89.43 104.47 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-O 121.275 0.56 . . . . 0.0 109.967 -175.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.525 ' HD3' ' HA3' ' A' ' 31' ' ' GLY . 68.9 mmtt -89.3 157.69 18.11 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.31 176.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -169.5 2.57 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.211 178.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.04 -57.45 10.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.697 174.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.55 -59.85 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.868 175.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -91.16 129.6 1.31 Allowed 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 121.881 1.72 . . . . 0.0 114.189 -171.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.473 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 60.5 t -141.2 89.19 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 166.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 m -86.75 106.61 17.79 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -171.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.401 ' CG1' ' HE2' ' A' ' 29' ' ' PHE . 35.6 mm -113.02 104.63 17.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.133 174.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.697 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 55.8 m -80.83 101.02 9.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.037 0.446 . . . . 0.0 110.77 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.453 HD23 ' CZ ' ' A' ' 38' ' ' PHE . 81.8 mt -71.5 145.02 49.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.886 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -60.01 -18.46 46.17 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.307 0.575 . . . . 0.0 110.52 175.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -67.16 -12.88 61.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.614 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.46 44.19 3.52 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.089 -0.577 . . . . 0.0 112.225 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -154.45 110.44 2.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.712 0.292 . . . . 0.0 111.32 -178.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.697 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 4.4 Cg_exo -77.8 96.28 1.09 Allowed 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 123.038 2.492 . . . . 0.0 111.073 171.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -83.68 117.84 23.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.53 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.473 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 67.0 mt -97.4 105.81 17.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.075 178.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.401 ' HE2' ' CG1' ' A' ' 19' ' ' ILE . 23.6 m-85 -84.65 145.58 27.92 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -117.85 -5.65 11.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.074 0.464 . . . . 0.0 110.959 -178.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.525 ' HA3' ' HD3' ' A' ' 12' ' ' LYS . . . -135.28 157.28 23.06 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 120.825 -0.703 . . . . 0.0 111.922 178.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.526 HG11 ' HB2' ' A' ' 61' ' ' SER . 47.0 t -72.67 -32.1 39.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.974 0.416 . . . . 0.0 111.038 -176.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -67.11 -36.35 81.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.518 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.25 -41.01 98.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.643 179.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.582 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -65.86 -43.42 88.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.969 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -61.92 -44.26 97.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.63 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.8 -41.35 83.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.308 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.453 ' CZ ' HD23 ' A' ' 21' ' ' LEU . 26.1 t80 -58.18 -39.85 79.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.68 178.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 94.2 mt -60.63 -27.67 67.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.941 -176.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -92.45 -7.98 46.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.834 0.349 . . . . 0.0 110.851 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -98.92 -84.6 0.4 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.886 -176.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -117.36 37.6 3.83 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -168.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -66.58 110.89 5.54 Favored Pre-proline 0 CA--C 1.533 0.316 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 172.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -85.46 29.76 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.248 2.632 . . . . 0.0 113.834 -168.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -158.01 -174.76 4.99 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -90.75 -167.82 1.92 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 175.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.545 ' HA2' ' OE1' ' A' ' 81' ' ' GLN . . . 172.49 -47.58 0.17 Allowed Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.575 176.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.444 ' OD1' ' HG3' ' A' ' 49' ' ' ARG . 9.5 t70 55.89 -90.45 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.443 0.697 . . . . 0.0 111.517 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.444 ' HG3' ' OD1' ' A' ' 48' ' ' ASP . 99.9 mtt180 -87.82 -30.4 20.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.874 -178.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.12 -29.12 63.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.713 0.768 . . . . 0.0 109.033 172.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.498 ' HB2' ' HA3' ' A' ' 47' ' ' GLY . 20.4 t60 -71.5 -41.1 69.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.238 175.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -61.2 -40.52 94.26 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.493 174.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.596 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 35.8 tt0 -54.26 -49.12 70.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.113 176.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.493 ' HA ' HD11 ' A' ' 57' ' ' LEU . . . -64.08 -43.03 96.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.246 179.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.25 -42.9 96.29 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.108 0.48 . . . . 0.0 110.584 177.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -66.38 -39.83 89.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.766 -177.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 79.4 mt -56.15 -52.41 64.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.479 176.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 37.5 m -63.78 -40.01 95.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.589 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -63.63 -51.17 66.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.734 -178.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.25 -32.09 72.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.406 -177.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.526 ' HB2' HG11 ' A' ' 32' ' ' VAL . 51.0 m -66.53 -41.82 88.18 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 176.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 72.2 mt -67.4 -26.26 66.36 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.901 0.381 . . . . 0.0 110.658 176.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 90.7 mtp -78.81 -8.47 58.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.679 175.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.28 20.84 59.77 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.607 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -93.49 -53.39 4.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.886 0.374 . . . . 0.0 110.482 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.8 t -84.13 133.04 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.195 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.35 26.91 0.52 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -175.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.7 -54.09 4.9 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.735 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -58.35 -52.44 65.59 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.806 0.336 . . . . 0.0 111.162 -176.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 59.0 mt -55.6 -35.94 40.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.53 -36.34 82.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.977 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.446 ' O ' HG21 ' A' ' 76' ' ' VAL . 27.9 mtp-105 -64.9 -54.36 32.0 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 120.806 0.336 . . . . 0.0 110.685 -178.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.7 m -56.4 -47.34 79.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.726 -176.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.25 -30.89 65.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.143 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -65.55 -43.38 90.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.015 0.435 . . . . 0.0 109.958 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.446 HG21 ' O ' ' A' ' 72' ' ' ARG . 59.4 t -66.91 -29.65 47.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.2 177.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.46 -37.06 77.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.077 0.465 . . . . 0.0 110.677 177.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.12 -29.6 61.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.71 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.7 m -71.12 -2.89 17.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.852 -178.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.667 ' HG2' HD11 ' A' ' 85' ' ' LEU . 97.1 mtt180 -65.66 -32.14 73.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.606 0.241 . . . . 0.0 110.604 178.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.545 ' OE1' ' HA2' ' A' ' 47' ' ' GLY . 97.0 mt-30 -69.01 -30.27 68.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.972 0.415 . . . . 0.0 110.706 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.32 -17.84 41.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.448 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 66.84 16.72 10.44 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.139 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 79.9 m -85.69 34.89 0.6 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.381 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.667 HD11 ' HG2' ' A' ' 80' ' ' ARG . 64.6 mt -71.04 117.38 12.47 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.379 0.609 . . . . 0.0 111.788 -175.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 83.1 mmm . . . . . 0 C--N 1.315 -0.934 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.348 177.524 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 CA--C 1.519 -0.249 0 CA-C-O 120.989 0.423 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.666 HG13 HD21 ' A' ' 62' ' ' LEU . 7.3 p -143.39 132.07 19.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.746 175.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.53 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 69.5 mmtt -98.38 167.46 10.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.668 -177.124 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -100.74 137.75 38.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.19 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -75.28 -32.51 61.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.14 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -125.53 104.36 27.99 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.133 175.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -49.19 140.21 25.98 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.656 2.904 . . . . 0.0 113.225 -175.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 50.9 t -104.98 117.52 50.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.476 -178.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.557 ' O ' ' HB2' ' A' ' 86' ' ' MET . 4.8 m -94.88 112.2 23.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.624 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.586 HD11 ' HZ3' ' A' ' 43' ' ' TRP . 16.6 tt -94.03 124.3 46.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.473 ' HB2' ' CG ' ' A' ' 86' ' ' MET . 3.6 t -93.59 100.91 13.08 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.121 0.486 . . . . 0.0 110.077 -177.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.3 mt -78.27 144.01 36.53 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.853 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.077 -172.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -75.2 -1.16 22.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.907 0.384 . . . . 0.0 110.886 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.85 35.39 7.23 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.119 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.21 101.0 49.96 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-O 120.67 0.271 . . . . 0.0 110.826 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -78.69 97.36 1.13 Allowed 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 123.031 2.487 . . . . 0.0 111.002 174.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.716 HH11 ' HE1' ' A' ' 29' ' ' PHE . 18.2 ttt180 -88.86 111.77 22.46 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -178.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.8 mt -87.87 110.04 20.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.586 -177.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.716 ' HE1' HH11 ' A' ' 27' ' ' ARG . 51.4 m-85 -81.68 118.44 22.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.312 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -89.87 -19.8 24.17 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.685 178.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.53 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -139.42 155.14 23.93 Favored Glycine 0 N--CA 1.44 -1.043 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.944 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.482 HG12 ' HB2' ' A' ' 61' ' ' SER . 18.7 t -68.56 -30.29 46.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.974 0.416 . . . . 0.0 110.605 -176.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -65.23 -37.87 88.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.592 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -62.37 -38.03 88.02 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.068 0.461 . . . . 0.0 110.626 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.585 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -65.23 -48.0 74.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.117 177.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.483 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 80.8 t80 -58.04 -48.37 80.31 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.624 176.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.89 -50.41 73.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.943 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.479 ' HB2' ' NH1' ' A' ' 27' ' ' ARG . 66.8 t80 -59.18 -43.62 92.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.584 -177.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 91.7 mt -58.89 -36.52 74.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.677 -177.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -94.09 -12.5 28.35 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 121.091 -0.243 . . . . 0.0 111.496 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -80.06 -61.7 1.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.015 0.436 . . . . 0.0 110.043 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.403 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 42.7 tt0 -157.63 98.98 1.7 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.946 176.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.586 ' HZ3' HD11 ' A' ' 19' ' ' ILE . 63.4 t-105 -98.7 95.91 3.47 Favored Pre-proline 0 C--N 1.314 -0.942 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.006 173.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 42' ' ' GLU . 73.7 Cg_endo -76.84 -18.04 15.21 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.727 2.285 . . . . 0.0 112.663 -174.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.42 -166.0 1.43 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.444 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -133.65 172.71 12.39 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.27 -30.7 0.3 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.077 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.446 ' OD2' ' HG3' ' A' ' 49' ' ' ARG . 24.8 t70 71.58 -102.2 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 122.755 0.422 . . . . 0.0 110.371 173.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.446 ' HG3' ' OD2' ' A' ' 48' ' ' ASP . 86.2 mtm180 -77.07 -21.86 53.74 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.57 177.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.25 -33.53 75.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.428 0.632 . . . . 0.0 109.344 173.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -66.53 -43.64 84.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.817 174.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -66.05 -42.7 89.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.381 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -56.2 -44.07 79.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.886 177.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.05 -49.82 75.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.574 177.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.418 HD21 ' HB2' ' A' ' 39' ' ' LEU . 57.8 mt -59.08 -51.35 70.41 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.302 178.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -55.5 -47.66 75.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.196 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.2 mt -68.82 -37.67 79.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.237 -178.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.483 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 87.5 m -61.03 -45.15 95.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.667 0.27 . . . . 0.0 110.848 177.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.2 ttp85 -70.33 -34.82 73.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.707 0.289 . . . . 0.0 110.712 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.65 -28.62 67.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.92 0.39 . . . . 0.0 110.912 177.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.482 ' HB2' HG12 ' A' ' 32' ' ' VAL . 38.1 m -70.35 -36.0 73.91 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 174.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.666 HD21 HG13 ' A' ' 11' ' ' VAL . 90.0 mt -66.59 -29.53 69.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.056 176.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 84.9 mtp -73.51 -14.0 61.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.551 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.01 13.12 64.83 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.398 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -91.68 -49.96 6.01 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -178.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.0 t -84.19 128.53 38.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.501 -177.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.41 156.59 35.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.428 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.3 -42.18 81.87 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.777 -0.647 . . . . 0.0 113.313 -175.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -64.36 -48.93 73.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.639 0.257 . . . . 0.0 110.875 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.0 mt -56.16 -48.6 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.751 -178.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.85 -40.73 96.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.153 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.497 ' O ' HG23 ' A' ' 76' ' ' VAL . 10.4 ttt180 -67.99 -52.47 35.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.228 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.9 m -59.04 -39.06 80.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.883 0.373 . . . . 0.0 111.262 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.57 -32.32 71.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.966 178.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -72.41 -30.67 64.85 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 178.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 72' ' ' ARG . 99.5 t -62.3 -42.38 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.066 174.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.17 -37.36 85.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.544 176.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.18 -46.44 73.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.203 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.3 p -70.42 -23.09 62.68 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.926 0.393 . . . . 0.0 110.819 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -61.88 -45.03 95.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.07 174.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -77.75 -25.0 48.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.095 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.56 -58.09 7.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.414 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -173.52 -55.36 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.029 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 46.1 t -155.04 99.35 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.229 0.537 . . . . 0.0 110.678 -174.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.568 HD22 ' H ' ' A' ' 85' ' ' LEU . 2.3 pt? -64.28 143.08 58.16 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.859 172.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.557 ' HB2' ' O ' ' A' ' 18' ' ' THR . 95.2 mmm . . . . . 0 C--N 1.323 -0.586 0 CA-C-O 120.979 0.419 . . . . 0.0 110.878 -179.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 . . . . . 0 CA--C 1.518 -0.258 0 CA-C-O 120.707 0.289 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.669 HG12 HD21 ' A' ' 62' ' ' LEU . 7.2 p -126.57 119.71 54.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.542 0.687 . . . . 0.0 110.098 174.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.452 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 96.1 mttt -125.02 165.19 18.61 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.24 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.63 143.79 27.27 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -172.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -80.92 -25.12 37.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.125 172.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -126.54 106.04 23.78 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.038 176.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.88 139.73 84.59 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 123.074 2.516 . . . . 0.0 112.548 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.6 t -96.75 119.22 44.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.835 0.35 . . . . 0.0 110.785 -176.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.3 m -98.16 108.31 20.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.997 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.425 ' CG1' ' HE2' ' A' ' 29' ' ' PHE . 19.7 mm -98.3 114.37 35.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.085 178.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 p -81.36 106.69 13.52 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.306 177.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.9 mt -70.03 167.43 17.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.564 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -65.6 -13.39 58.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.331 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -84.51 6.43 23.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.642 177.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.57 32.83 67.42 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.894 -0.669 . . . . 0.0 111.594 -178.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -119.04 119.0 32.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.519 0.2 . . . . 0.0 111.05 -176.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 6.1 Cg_exo -75.22 108.24 2.66 Favored 'Trans proline' 0 N--CA 1.463 -0.265 0 C-N-CA 123.163 2.575 . . . . 0.0 111.891 176.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -102.85 112.06 24.68 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.3 mt -94.81 128.23 46.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.563 -172.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.425 ' HE2' ' CG1' ' A' ' 19' ' ' ILE . 36.4 m-85 -106.69 141.38 38.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.629 176.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.57 -21.14 13.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.062 0.458 . . . . 0.0 110.667 -177.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -127.94 157.46 21.1 Favored Glycine 0 N--CA 1.442 -0.924 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.667 ' HB ' HG11 ' A' ' 11' ' ' VAL . 54.5 t -68.6 -30.55 47.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.752 0.31 . . . . 0.0 110.861 -177.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -62.42 -41.04 98.41 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.829 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -59.48 -42.18 91.51 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.248 0.547 . . . . 0.0 110.1 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.531 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -65.65 -47.6 74.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.708 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -60.84 -47.93 84.12 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.938 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -58.3 -47.06 84.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.205 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -55.91 -47.46 77.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.196 178.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 95.5 mt -60.2 -41.25 92.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.445 -178.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -79.81 -26.92 40.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.337 -176.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -79.8 -63.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.115 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -150.82 80.82 1.33 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.313 0.578 . . . . 0.0 111.246 -176.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.512 ' HB2' ' HA ' ' A' ' 39' ' ' LEU . 32.1 t-105 -93.41 112.68 57.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.149 172.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 43' ' ' TRP . 17.8 Cg_exo -69.07 22.99 0.15 Allowed 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.725 2.95 . . . . 0.0 114.466 -175.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.411 ' HB1' ' NE1' ' A' ' 43' ' ' TRP . . . -135.1 115.66 13.68 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 44.4 mtm-85 -107.35 157.33 18.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.416 0.627 . . . . 0.0 111.642 -174.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.446 ' O ' ' HB3' ' A' ' 48' ' ' ASP . . . 170.25 -98.59 0.14 Allowed Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 175.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.446 ' HB3' ' O ' ' A' ' 47' ' ' GLY . 11.9 p-10 175.12 -49.81 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 122.804 0.442 . . . . 0.0 109.876 174.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.557 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 68.8 mtm-85 -62.26 -66.59 0.52 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.705 -178.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.56 74.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.858 0.361 . . . . 0.0 111.277 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.41 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 10.5 t60 -65.0 -44.84 87.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.995 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -67.11 -46.62 73.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.041 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' A' ' 49' ' ' ARG . 96.4 mt-30 -54.67 -51.74 64.53 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 -178.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.81 -41.5 86.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.49 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 51' ' ' HIS . 89.3 mt -66.55 -45.04 80.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.081 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -65.74 -35.97 82.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.678 -177.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 93.6 mt -60.35 -49.23 78.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.678 177.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 44.9 m -67.14 -30.16 70.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.097 0.475 . . . . 0.0 110.743 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.9 ttt85 -70.98 -39.29 72.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.469 176.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.53 -38.4 89.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.425 ' OG ' HG11 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -64.64 -34.81 79.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.557 0.218 . . . . 0.0 111.128 176.807 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.669 HD21 HG12 ' A' ' 11' ' ' VAL . 47.7 mt -67.95 -19.13 64.93 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.109 0.481 . . . . 0.0 110.743 176.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 87.4 mtp -95.72 3.67 53.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.329 178.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.88 28.05 65.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.187 -0.53 . . . . 0.0 112.359 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -98.31 -58.37 1.99 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.137 0.494 . . . . 0.0 109.978 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.6 t -87.52 129.69 38.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.316 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -115.83 116.69 28.45 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -174.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 48.48 -102.88 0.06 OUTLIER Glycine 0 C--N 1.334 0.446 0 CA-C-N 115.264 -0.88 . . . . 0.0 115.269 167.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.43 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 7.6 mm-40 -57.61 -31.98 66.76 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -174.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 59.3 mt -60.53 -47.44 92.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.141 0.496 . . . . 0.0 110.071 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 75' ' ' PHE . . . -70.9 -36.62 72.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.46 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.43 ' HB3' ' HA ' ' A' ' 69' ' ' GLU . 7.6 tpp85 -58.97 -54.36 48.05 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.981 178.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 m -67.93 -35.83 79.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.122 0.487 . . . . 0.0 111.079 -176.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.97 -34.43 66.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.287 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.454 ' CE2' HD13 ' A' ' 39' ' ' LEU . 11.0 t80 -62.89 -40.95 99.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.125 0.488 . . . . 0.0 110.004 179.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 89.4 t -65.54 -37.68 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.525 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.9 -37.4 87.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.2 -40.07 68.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.141 0.496 . . . . 0.0 110.789 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.5 m -75.47 -10.41 59.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.874 -178.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -64.25 -25.84 68.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.121 -178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -65.45 -26.93 68.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.936 0.398 . . . . 0.0 110.69 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.27 -22.47 25.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.969 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 63.04 24.67 14.63 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.05 177.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 38.3 t -119.25 74.86 1.01 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 84.9 mt -108.21 164.66 12.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.557 -174.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 8.5 mmm . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.145 177.485 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 t70 . . . . . 0 C--O 1.233 0.226 0 CA-C-O 121.311 0.577 . . . . 0.0 110.1 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.0 t -99.28 93.87 3.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.715 177.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -83.41 159.23 21.84 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.583 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -100.03 125.84 46.15 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 121.325 0.583 . . . . 0.0 111.257 -175.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -89.29 -19.43 25.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.265 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -128.28 88.53 52.4 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.545 173.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.41 ' HB3' ' O ' ' A' ' 29' ' ' PHE . 17.1 Cg_exo -67.54 171.15 12.32 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 123.41 2.74 . . . . 0.0 113.686 -172.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.9 t -122.28 136.59 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.674 177.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 m -96.92 104.55 16.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.27 -177.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.8 mm -100.4 117.06 45.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 t -89.05 122.5 32.45 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.1 mt -87.11 169.56 12.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.056 -177.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -56.84 -38.88 73.28 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.526 -171.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -70.3 -17.34 63.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.862 0.363 . . . . 0.0 111.487 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.35 38.4 3.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.802 -177.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.3 114.49 40.7 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-O 120.623 0.249 . . . . 0.0 110.643 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -75.32 105.04 2.01 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.959 2.439 . . . . 0.0 111.755 177.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.2 tpt85 -88.67 104.97 17.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.947 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.1 mt -86.34 114.58 26.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.421 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.41 ' O ' ' HB3' ' A' ' 16' ' ' PRO . 88.8 m-85 -83.5 117.76 23.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.214 0.531 . . . . 0.0 111.021 -178.104 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -86.99 -5.28 59.14 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.056 -175.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -163.04 158.65 31.02 Favored Glycine 0 N--CA 1.443 -0.86 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.721 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.494 HG11 ' HB3' ' A' ' 61' ' ' SER . 24.9 t -67.51 -28.2 41.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.22 0.534 . . . . 0.0 109.898 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.495 ' HA ' HD13 ' A' ' 62' ' ' LEU . 53.6 t80 -59.98 -40.2 88.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.415 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -65.97 -39.21 90.2 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.527 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.552 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -65.36 -48.91 71.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.803 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.458 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 67.1 t80 -58.87 -41.15 86.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.552 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -61.54 -55.26 32.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.554 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -52.51 -49.64 64.4 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.525 -0.762 . . . . 0.0 112.199 -176.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 65.6 mt -57.5 -25.97 60.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.212 -174.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -82.85 -57.84 3.14 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -175.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -76.26 -36.83 58.27 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.539 -0.465 . . . . 0.0 112.095 -174.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.443 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 19.7 tt0 -147.14 76.07 1.4 Allowed 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.498 -0.881 . . . . 0.0 112.228 -176.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -98.01 98.18 5.2 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 165.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.443 ' HD3' ' O ' ' A' ' 42' ' ' GLU . 21.1 Cg_exo -66.58 -16.89 52.18 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.034 2.489 . . . . 0.0 113.459 -173.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.76 174.63 7.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.984 0.421 . . . . 0.0 111.183 -178.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.3 mtm180 -129.7 -173.86 3.14 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.899 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 133.9 -18.38 4.28 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.888 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 69.39 -76.44 0.06 Allowed 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.192 0.597 . . . . 0.0 111.068 175.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.9 mtm-85 -64.22 -28.97 70.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.804 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.91 93.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.1 0.476 . . . . 0.0 110.409 176.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -74.37 -37.87 63.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.399 177.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -56.1 -57.71 11.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.143 175.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.518 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 29.6 tt0 -61.03 -41.25 96.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.889 -178.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.16 -48.88 75.44 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.356 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.81 -45.21 87.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.905 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -55.96 -47.28 77.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.124 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 60.8 mt -62.61 -50.93 69.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.212 -178.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.458 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 60.8 m -64.0 -35.85 82.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.975 -178.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -63.01 -51.66 65.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.673 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.45 -34.14 76.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.285 -178.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.915 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 23.2 t -63.27 -33.69 76.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.15 -178.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.495 HD13 ' HA ' ' A' ' 33' ' ' TYR . 62.8 mt -96.32 2.57 52.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.593 -176.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 86.8 mtp -130.22 -49.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -173.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -150.25 70.08 0.31 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 119.443 -1.36 . . . . 0.0 114.581 -166.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.8 t70 73.41 85.98 0.11 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 164.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.915 ' HB ' ' HA ' ' A' ' 61' ' ' SER . 24.2 t -138.76 126.31 27.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.631 165.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.43 137.29 52.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.345 177.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.99 -45.62 80.65 Favored Glycine 0 N--CA 1.452 -0.252 0 CA-C-N 115.961 -0.563 . . . . 0.0 113.152 -175.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.42 ' O ' ' HB3' ' A' ' 72' ' ' ARG . 32.0 tt0 -71.16 -33.95 70.51 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 122.632 -0.334 . . . . 0.0 110.807 -177.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 62.3 mt -67.0 -45.0 88.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.34 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.405 ' HB3' ' CG1' ' A' ' 66' ' ' VAL . . . -53.18 -39.75 63.87 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.097 174.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.42 ' HB3' ' O ' ' A' ' 69' ' ' GLU . 16.6 ttt180 -57.64 -55.15 38.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.072 177.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.0 m -61.22 -41.8 97.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.044 0.45 . . . . 0.0 110.861 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.425 ' HB3' HD11 ' A' ' 57' ' ' LEU . . . -66.0 -37.83 86.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.257 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -65.32 -37.64 87.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.467 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.3 t -66.34 -33.19 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.023 0.439 . . . . 0.0 110.279 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.56 -25.95 63.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 177.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.0 -44.27 15.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.619 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.7 p -77.35 -2.89 37.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.323 0.583 . . . . 0.0 110.667 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.606 ' HA ' HD12 ' A' ' 85' ' ' LEU . 45.2 ttt180 -56.66 -28.7 61.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.805 178.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -90.33 0.71 57.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.475 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.67 -18.01 34.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.56 0.219 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 71.9 5.05 5.24 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.547 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 82.6 m -123.36 76.95 1.44 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.34 0.591 . . . . 0.0 110.326 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.606 HD12 ' HA ' ' A' ' 80' ' ' ARG . 96.4 mt -106.58 127.77 53.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.857 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 93.2 mmm . . . . . 0 C--N 1.319 -0.721 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.771 -175.656 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 N--CA 1.466 0.328 0 CA-C-O 121.415 0.626 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 61' ' ' SER . 62.1 t -124.72 110.36 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.828 176.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -78.31 120.82 23.62 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.114 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.88 124.1 29.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.028 -177.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -83.39 -20.0 34.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.24 0.543 . . . . 0.0 110.515 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.597 ' HD2' ' HG2' ' A' ' 69' ' ' GLU . 30.2 mtpp -100.23 111.92 63.25 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.409 174.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.15 149.09 46.01 Favored 'Trans proline' 0 C--O 1.238 0.484 0 C-N-CA 122.778 2.319 . . . . 0.0 111.926 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.453 HG21 ' HG3' ' A' ' 72' ' ' ARG . 6.0 t -120.18 88.88 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.221 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' A' ' 27' ' ' ARG . 25.8 m -78.51 94.3 4.93 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 173.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.775 HD13 ' CZ3' ' A' ' 43' ' ' TRP . 12.2 tt -101.23 118.0 47.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.584 -176.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.421 ' HB3' ' SD ' ' A' ' 86' ' ' MET . 9.5 p -98.06 123.0 41.88 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.751 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.3 mp -94.24 153.58 17.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 177.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -60.37 -19.79 57.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.227 0.536 . . . . 0.0 110.438 177.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -69.92 -18.49 63.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.244 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.81 65.52 1.04 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.918 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -165.59 107.24 0.75 Allowed Pre-proline 0 C--N 1.326 -0.417 0 CA-C-O 120.5 0.19 . . . . 0.0 110.991 -177.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -89.93 105.85 0.36 Allowed 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 123.496 2.798 . . . . 0.0 112.107 174.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.449 ' O ' ' HA ' ' A' ' 18' ' ' THR . 24.6 mtp85 -93.16 160.51 14.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.741 177.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.449 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 60.1 mt -126.33 105.95 15.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.678 175.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -73.32 135.85 44.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.853 0.359 . . . . 0.0 110.707 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -90.75 -15.89 29.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.198 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -163.63 171.93 39.41 Favored Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.212 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.506 HG11 ' HB2' ' A' ' 61' ' ' SER . 28.5 t -67.37 -27.74 39.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.965 0.412 . . . . 0.0 110.806 -177.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -59.61 -44.52 93.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.753 -176.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.45 -49.27 78.46 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.687 176.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.494 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -60.05 -46.95 87.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.742 -175.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -59.57 -45.52 91.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.061 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -69.85 -43.22 72.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.814 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -58.51 -42.89 88.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.25 -177.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 95.3 mt -61.14 -34.54 75.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.289 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -76.8 -28.24 55.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.898 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -68.94 -70.15 0.29 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.818 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -162.15 80.44 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.872 0.844 . . . . 0.0 111.361 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.775 ' CZ3' HD13 ' A' ' 19' ' ' ILE . 42.2 t-105 -92.21 116.17 65.99 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.239 173.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.651 ' HD2' ' CE3' ' A' ' 43' ' ' TRP . 68.2 Cg_exo -39.93 -45.76 3.8 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 124.398 3.398 . . . . 0.0 114.746 -175.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.415 ' HB2' ' NE1' ' A' ' 43' ' ' TRP . . . -80.04 103.15 9.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.935 0.397 . . . . 0.0 110.323 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.6 ptt85 -122.16 153.91 38.13 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.765 -175.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.96 -64.97 0.55 Allowed Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 119.848 -1.168 . . . . 0.0 113.779 168.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.511 ' CG ' ' H ' ' A' ' 49' ' ' ARG . 5.0 t70 -103.64 -166.15 1.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.537 0.684 . . . . 0.0 112.052 -164.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.511 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 56.3 mtm180 -68.02 -15.42 63.59 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.111 -0.949 . . . . 0.0 111.806 -173.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.66 -44.48 86.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.007 0.432 . . . . 0.0 110.186 177.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -70.16 -40.77 74.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.573 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -63.85 -48.03 78.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.409 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.554 HE21 ' HG ' ' A' ' 57' ' ' LEU . 25.0 tp60 -64.02 -36.12 82.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.408 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.33 -43.1 92.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.904 0.383 . . . . 0.0 110.336 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.64 -48.53 74.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.621 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -58.41 -44.03 88.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.213 -178.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.554 ' HG ' HE21 ' A' ' 53' ' ' GLN . 89.3 mt -60.44 -50.41 73.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.763 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 63.4 m -62.89 -38.88 92.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.763 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -62.43 -49.39 75.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.582 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.418 ' HB3' ' HB3' ' A' ' 65' ' ' ASP . . . -66.91 -33.25 75.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.012 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.547 ' O ' HG23 ' A' ' 11' ' ' VAL . 52.5 m -65.3 -36.29 83.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.751 177.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 82.2 mt -68.08 -11.79 59.68 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.832 0.349 . . . . 0.0 111.165 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.4 mmm -106.03 8.94 32.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.322 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.37 21.87 76.12 Favored Glycine 0 C--N 1.332 0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.807 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.418 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 11.5 t70 -87.36 -48.57 7.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.109 0.48 . . . . 0.0 110.495 -177.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.6 t -90.76 134.59 29.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.463 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.67 148.53 51.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.309 175.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.37 -45.28 89.24 Favored Glycine 0 CA--C 1.518 0.245 0 CA-C-N 115.971 -0.558 . . . . 0.0 113.589 -173.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.597 ' HG2' ' HD2' ' A' ' 15' ' ' LYS . 39.7 mt-10 -68.3 -41.63 80.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.887 0.343 . . . . 0.0 110.957 -177.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 65.3 mt -55.1 -50.2 65.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.893 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.57 91.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.896 -177.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.453 ' HG3' HG21 ' A' ' 17' ' ' VAL . 1.4 ttp180 -71.84 -36.27 70.13 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.585 -172.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.0 m -69.02 -43.64 74.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.869 0.366 . . . . 0.0 110.419 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.28 -29.29 68.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.087 0.47 . . . . 0.0 110.554 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -59.71 -45.79 91.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.037 175.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 64.8 t -64.69 -33.08 60.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.546 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.75 98.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.683 176.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.69 -24.74 61.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.145 0.498 . . . . 0.0 110.773 177.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.714 ' HA ' ' HZ2' ' A' ' 43' ' ' TRP . 38.9 m -70.06 -17.83 63.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.02 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.695 ' HG2' HD13 ' A' ' 85' ' ' LEU . 98.3 mtt180 -67.43 -23.06 65.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.357 -176.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -72.56 -24.6 61.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.927 0.394 . . . . 0.0 110.603 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.71 -14.31 58.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.048 0.451 . . . . 0.0 109.944 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 61.56 26.4 16.12 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.323 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 51.3 m -127.16 79.7 1.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.021 177.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.695 HD13 ' HG2' ' A' ' 80' ' ' ARG . 96.3 mt -100.08 135.58 41.29 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.865 -175.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.421 ' SD ' ' HB3' ' A' ' 20' ' ' SER . 80.1 mtp . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.281 170.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 . . . . . 0 C--O 1.234 0.242 0 CA-C-O 121.788 0.804 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.6 t -96.39 139.94 18.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.293 -174.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.0 mtmt -90.8 18.55 6.38 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.097 -176.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 63.83 -172.97 0.17 Allowed 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.231 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.679 ' HB2' ' HD2' ' A' ' 15' ' ' LYS . 35.2 mt-10 -110.14 -61.9 1.59 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 171.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.679 ' HD2' ' HB2' ' A' ' 14' ' ' GLU . 5.3 mptt -108.64 122.28 40.7 Favored Pre-proline 0 N--CA 1.448 -0.554 0 CA-C-N 114.4 -1.273 . . . . 0.0 109.11 177.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.32 154.49 46.54 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 123.229 2.619 . . . . 0.0 112.593 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.536 HG21 ' HG3' ' A' ' 72' ' ' ARG . 61.5 t -104.56 127.77 58.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.855 -178.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.3 m -105.56 101.62 11.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.587 175.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' A' ' 26' ' ' PRO . 12.6 tt -98.31 116.08 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.24 0.543 . . . . 0.0 110.415 -176.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.1 t -82.36 119.74 24.54 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.504 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.4 mt -89.3 -177.57 5.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.139 -177.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -59.55 -33.26 71.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.514 . . . . 0.0 112.157 -173.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -85.24 3.99 36.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.585 0.231 . . . . 0.0 111.102 -178.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.26 9.72 81.49 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.037 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.452 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -88.65 116.64 66.85 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 120.487 0.184 . . . . 0.0 110.598 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.469 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 17.7 Cg_endo -90.36 114.91 0.51 Allowed 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.238 2.625 . . . . 0.0 112.732 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -94.74 128.2 41.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.155 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.493 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 63.2 mt -101.47 122.31 53.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.481 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -93.68 139.12 31.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.42 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -86.18 -24.49 26.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.694 -177.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.76 -178.86 25.1 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 111.603 -0.599 . . . . 0.0 111.603 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.549 HG11 ' HB3' ' A' ' 61' ' ' SER . 15.7 t -72.98 -29.14 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.763 0.316 . . . . 0.0 110.997 -176.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -62.58 -46.39 88.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.83 -177.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -60.49 -35.56 76.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.436 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -67.75 -49.27 63.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.821 178.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -63.37 -38.45 91.18 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.45 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -64.9 -44.11 90.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.558 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -59.62 -41.67 90.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.751 178.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 95.2 mt -59.86 -31.1 69.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.247 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -87.24 -32.54 19.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.877 -177.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -94.44 -78.4 0.44 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.861 0.362 . . . . 0.0 111.958 -176.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -107.77 33.41 4.09 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.099 0.778 . . . . 0.0 113.099 -167.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.44 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 76.3 t-105 -64.32 108.4 1.9 Allowed Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 170.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 43' ' ' TRP . 68.8 Cg_endo -94.66 30.01 0.23 Allowed 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 123.494 2.796 . . . . 0.0 114.103 -167.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -150.14 -177.01 5.68 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -92.4 -138.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 174.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.92 -51.34 0.83 Allowed Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 -175.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 1.5 t70 60.82 -88.7 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 114.039 -1.08 . . . . 0.0 111.424 171.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.428 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 50.3 mmm-85 -64.58 -48.94 73.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.488 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.17 -28.85 68.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.174 0.512 . . . . 0.0 110.758 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.468 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 78.3 t60 -64.43 -40.84 96.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.093 178.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 48' ' ' ASP . 44.6 mt-10 -66.95 -39.71 87.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.841 178.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.498 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 80.2 mt-30 -61.41 -44.46 97.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.344 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.96 -39.93 87.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.916 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 51' ' ' HIS . 96.0 mt -61.24 -46.79 88.94 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 177.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -59.22 -43.89 92.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.516 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 73.2 mt -65.9 -48.66 70.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.318 -177.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 64.7 m -62.03 -40.63 96.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.733 0.301 . . . . 0.0 110.621 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -65.93 -40.98 91.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.25 -32.67 73.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.032 0.444 . . . . 0.0 110.771 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.549 ' HB3' HG11 ' A' ' 32' ' ' VAL . 22.8 t -69.4 -32.7 71.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.91 176.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.2 mt -73.48 -4.5 34.15 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-O 121.113 0.482 . . . . 0.0 110.849 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 82.3 mtp -100.73 -13.78 18.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.001 174.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.57 0.31 64.83 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.028 -0.606 . . . . 0.0 113.093 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -84.71 -13.84 50.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.012 0.434 . . . . 0.0 111.152 -177.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.491 HG11 ' HB ' ' A' ' 70' ' ' ILE . 86.8 t -113.74 111.39 35.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.856 176.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.65 89.7 6.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.236 -175.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.51 -91.01 0.01 OUTLIER Glycine 0 CA--C 1.522 0.47 0 O-C-N 124.068 0.855 . . . . 0.0 115.151 167.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -43.87 -44.7 7.13 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 123.995 0.918 . . . . 0.0 112.846 -174.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.491 ' HB ' HG11 ' A' ' 66' ' ' VAL . 60.5 mt -55.77 -45.57 79.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.997 0.427 . . . . 0.0 111.327 -177.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.04 -34.16 71.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.536 ' HG3' HG21 ' A' ' 17' ' ' VAL . 13.9 ttp180 -68.91 -49.52 57.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 110.727 -178.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.4 p -65.02 -41.19 95.54 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.208 -178.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.82 -35.12 76.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.363 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -63.43 -42.83 98.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.987 0.422 . . . . 0.0 110.523 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 66.9 t -65.06 -35.07 74.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.296 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.77 -28.29 68.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.028 177.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.24 -36.39 58.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.967 0.413 . . . . 0.0 110.673 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.7 t -70.26 -10.4 58.81 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.32 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -59.11 -43.1 91.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.547 176.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -76.93 -9.37 58.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.22 -177.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.21 -3.92 57.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.11 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 65.39 27.24 11.92 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.778 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 35.7 t -154.98 99.42 2.11 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 121.545 0.688 . . . . 0.0 110.129 -176.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 97.4 mt -103.7 168.15 9.33 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.08 -0.963 . . . . 0.0 109.942 175.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 57.0 ttp . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 121.312 0.577 . . . . 0.0 110.231 177.689 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 CA--C 1.519 -0.221 0 CA-C-O 120.842 0.353 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.688 HG22 HD21 ' A' ' 62' ' ' LEU . 12.0 m -85.45 111.48 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 CA-C-O 121.416 0.626 . . . . 0.0 109.681 177.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.97 152.28 25.52 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.668 -177.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.13 140.96 34.72 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.778 0.323 . . . . 0.0 110.622 -179.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -68.87 -32.13 71.57 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 174.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -133.21 108.88 12.52 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.261 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -50.69 148.92 14.84 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 123.514 2.809 . . . . 0.0 112.901 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.493 HG22 ' HG3' ' A' ' 72' ' ' ARG . 39.3 t -113.21 129.82 68.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.72 -177.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.746 HG23 HG12 ' A' ' 28' ' ' ILE . 2.0 p -99.57 97.58 8.55 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.942 0.401 . . . . 0.0 110.44 176.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.916 HD12 ' HZ3' ' A' ' 43' ' ' TRP . 6.3 tt -88.52 106.27 16.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.69 0.757 . . . . 0.0 109.931 -175.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.507 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 8.5 t -78.5 111.05 14.14 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.857 -176.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.2 mt -87.54 154.88 20.27 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.66 176.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -61.03 -16.39 42.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.208 0.528 . . . . 0.0 110.874 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -64.05 -20.27 65.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.474 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.5 32.68 4.44 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.237 175.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -156.56 122.54 2.52 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 117.037 0.418 . . . . 0.0 111.214 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.655 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 2.0 Cg_endo -84.41 114.36 1.8 Allowed 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.954 2.436 . . . . 0.0 112.027 172.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -83.73 140.07 32.34 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.746 HG12 HG23 ' A' ' 18' ' ' THR . 21.8 mt -96.14 112.52 28.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.495 -177.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -82.96 143.94 30.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.858 0.361 . . . . 0.0 110.396 177.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -97.04 -29.83 13.41 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.312 0.577 . . . . 0.0 109.986 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.62 162.65 28.27 Favored Glycine 0 N--CA 1.44 -1.065 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.575 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.482 HG12 ' HB2' ' A' ' 61' ' ' SER . 7.0 t -68.18 -21.35 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.331 0.586 . . . . 0.0 110.099 -178.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -60.29 -43.99 95.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.293 178.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -66.78 -42.64 85.7 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.346 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.54 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -60.33 -50.82 72.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.907 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.511 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 77.2 t80 -54.33 -47.17 72.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.888 178.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -66.36 -45.66 79.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.307 -177.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -60.24 -39.76 87.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.672 0.273 . . . . 0.0 111.25 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.0 mt -61.74 -23.62 66.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.477 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -89.99 -26.85 20.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.935 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -73.84 -62.94 1.32 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.219 -176.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -160.19 79.0 0.67 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.408 0.623 . . . . 0.0 112.154 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.916 ' HZ3' HD12 ' A' ' 19' ' ' ILE . 60.7 t-105 -84.16 108.54 14.55 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.004 172.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -88.04 33.79 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.243 2.629 . . . . 0.0 113.776 -170.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.454 ' HB2' ' CE2' ' A' ' 43' ' ' TRP . . . -129.74 113.92 15.32 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.963 0.411 . . . . 0.0 110.534 178.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -77.65 130.59 37.03 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.304 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.95 -29.03 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.083 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 72.29 -74.46 0.09 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.977 0.511 . . . . 0.0 112.35 175.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -66.1 -44.25 84.92 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -170.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.64 -37.46 87.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.408 . . . . 0.0 110.528 177.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -68.57 -39.76 80.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.027 177.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -61.51 -44.33 97.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.917 177.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.494 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 8.0 tt0 -62.11 -46.17 90.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.374 177.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.89 -45.32 74.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.589 -178.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.1 mp -62.65 -44.78 95.4 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.762 0.315 . . . . 0.0 110.989 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.6 ttp85 -61.0 -46.38 91.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.704 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 73.2 mt -58.18 -49.37 77.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.844 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.511 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 79.1 m -65.87 -39.94 91.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.423 -176.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -68.31 -40.19 81.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.789 0.328 . . . . 0.0 110.273 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.65 -31.65 72.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.689 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.482 ' HB2' HG12 ' A' ' 32' ' ' VAL . 30.6 m -67.58 -38.15 83.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.181 175.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.688 HD21 HG22 ' A' ' 11' ' ' VAL . 95.0 mt -65.56 -28.63 69.29 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.232 0.539 . . . . 0.0 110.021 176.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 88.1 mtp -81.73 1.03 36.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.668 177.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.94 13.85 80.58 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.645 178.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -85.89 -43.75 12.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.105 0.479 . . . . 0.0 110.436 -175.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.452 HG11 ' HB ' ' A' ' 70' ' ' ILE . 61.8 t -100.53 115.66 42.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.06 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.23 89.65 8.01 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -175.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 63.88 -92.56 0.11 Allowed Glycine 0 CA--C 1.522 0.485 0 N-CA-C 115.259 0.864 . . . . 0.0 115.259 166.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -67.46 -28.9 68.26 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 113.097 0.776 . . . . 0.0 113.097 -167.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.452 ' HB ' HG11 ' A' ' 66' ' ' VAL . 59.0 mt -57.98 -48.95 82.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.95 -37.02 78.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.423 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.504 ' O ' HG21 ' A' ' 76' ' ' VAL . 31.1 ttt-85 -57.29 -54.16 49.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.898 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.8 m -63.48 -39.85 95.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.252 -177.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.44 -33.62 73.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.025 179.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -66.88 -37.58 84.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.217 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.504 HG21 ' O ' ' A' ' 72' ' ' ARG . 90.4 t -63.02 -41.12 91.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.334 177.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.07 -36.87 85.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.88 72.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.393 176.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.5 m -66.05 -21.25 66.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.735 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.806 ' HG3' HD23 ' A' ' 85' ' ' LEU . 50.9 ttt180 -67.9 -22.44 65.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.84 0.352 . . . . 0.0 110.45 178.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -71.79 -25.71 62.12 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.13 -8.21 57.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.169 175.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 66.52 20.35 10.85 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.112 177.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 20' ' ' SER . 56.1 m -135.82 86.19 2.22 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.806 HD23 ' HG3' ' A' ' 80' ' ' ARG . 3.7 mm? -78.24 166.79 22.3 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.645 179.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.611 ' HG2' ' O ' ' A' ' 18' ' ' THR . 65.3 mtm . . . . . 0 C--N 1.332 -0.167 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.804 174.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 . . . . . 0 CA--C 1.514 -0.429 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.1 t -90.21 105.79 16.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -64.59 144.33 57.29 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.006 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -86.8 117.43 25.54 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 172.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -60.35 -33.78 72.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.208 -175.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.9 tttm -125.28 100.22 32.84 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 168.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -46.85 140.58 12.84 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.817 3.011 . . . . 0.0 113.607 -174.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.0 t -101.0 126.28 54.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.665 -178.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.516 ' O ' ' HB2' ' A' ' 86' ' ' MET . 11.9 m -103.66 117.4 34.3 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.732 177.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.66 HD13 ' HZ3' ' A' ' 43' ' ' TRP . 13.3 tt -107.93 149.35 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -177.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.494 ' HB2' ' HG2' ' A' ' 86' ' ' MET . 22.9 t -103.89 104.57 14.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.829 0.347 . . . . 0.0 110.356 -177.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.4 mp -71.2 167.42 19.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.588 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -64.22 -17.9 64.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.407 0.622 . . . . 0.0 109.885 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -64.35 -21.89 66.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.422 176.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.4 33.88 21.51 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -172.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.437 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -129.87 135.45 27.52 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.405 -0.398 . . . . 0.0 110.813 -176.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 2.5 Cg_endo -85.3 118.6 1.96 Allowed 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.291 2.66 . . . . 0.0 111.773 176.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -106.33 126.29 52.05 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 51.6 mt -97.0 117.57 41.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.929 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -91.35 123.85 35.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.823 176.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -91.51 -21.22 21.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.236 0.541 . . . . 0.0 109.766 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -136.96 155.74 22.89 Favored Glycine 0 N--CA 1.443 -0.839 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.369 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.494 HG11 ' HB2' ' A' ' 61' ' ' SER . 46.8 t -62.72 -31.61 52.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.78 0.324 . . . . 0.0 110.913 -178.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -60.93 -42.8 98.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.193 -178.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.23 -42.15 90.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.066 0.46 . . . . 0.0 110.669 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.59 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -72.56 -43.96 62.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.096 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -59.8 -35.06 73.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.965 -178.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -69.19 -46.25 67.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.971 0.415 . . . . 0.0 109.961 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -59.44 -41.94 90.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.503 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 84.6 mt -65.94 -18.4 65.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.072 -176.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -100.84 -0.64 36.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.155 0.502 . . . . 0.0 110.303 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -109.22 -61.65 1.6 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.195 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -140.22 60.69 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.006 -171.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.66 ' HZ3' HD13 ' A' ' 19' ' ' ILE . 75.0 t-105 -81.58 104.08 2.7 Favored Pre-proline 0 C--N 1.329 -0.326 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 168.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -66.57 -38.26 19.6 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 123.216 2.61 . . . . 0.0 114.446 -165.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.654 ' HB1' ' HB1' ' A' ' 82' ' ' ALA . . . -95.2 148.56 22.26 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.05 0.453 . . . . 0.0 111.308 -174.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -81.34 -168.5 1.87 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.731 177.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.414 ' HA3' ' HB3' ' A' ' 50' ' ' ALA . . . 142.32 -18.45 2.48 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.833 -178.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.8 t0 63.63 -81.38 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.031 0.532 . . . . 0.0 111.322 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 68.0 mtp85 -74.07 -20.76 60.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.619 0.247 . . . . 0.0 110.453 178.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.414 ' HB3' ' HA3' ' A' ' 47' ' ' GLY . . . -66.77 -40.71 88.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.217 0.532 . . . . 0.0 109.586 172.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -70.1 -43.56 70.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.218 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -61.5 -43.9 98.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.204 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.44 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 8.6 tt0 -60.57 -40.34 91.3 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.643 0.259 . . . . 0.0 110.826 -178.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.428 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -57.85 -48.05 80.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.821 178.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.3 mp -70.37 -37.25 74.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.56 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.9 tpp85 -53.21 -52.22 59.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.921 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 64.5 mt -65.57 -48.7 71.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.4 -176.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 63.2 m -64.83 -34.76 79.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.325 -177.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -62.97 -42.28 99.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.886 0.374 . . . . 0.0 110.469 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.87 -26.49 57.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.132 0.491 . . . . 0.0 111.053 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.494 ' HB2' HG11 ' A' ' 32' ' ' VAL . 44.9 m -74.2 -34.34 63.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.4 mt -70.33 -12.72 61.78 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.794 0.331 . . . . 0.0 111.006 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 66.6 mtt -82.05 -14.89 55.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.002 175.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.25 5.77 79.34 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.247 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -82.57 -39.54 22.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.792 0.33 . . . . 0.0 110.853 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.9 t -90.17 124.34 42.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 177.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.09 98.64 10.21 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -172.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.95 -100.72 0.05 OUTLIER Glycine 0 CA--C 1.52 0.348 0 N-CA-C 115.118 0.807 . . . . 0.0 115.118 167.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -62.34 -28.11 69.52 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 -172.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 66.0 mt -59.15 -44.65 92.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.18 0.514 . . . . 0.0 109.659 175.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.59 -36.59 76.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.641 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.562 ' O ' HG21 ' A' ' 76' ' ' VAL . 10.1 ttt180 -59.59 -58.12 9.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.936 -179.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.4 m -62.93 -36.78 84.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.384 -176.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.89 -41.87 86.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.624 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -63.12 -38.62 91.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.184 177.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.587 HG11 HD22 ' A' ' 85' ' ' LEU . 92.6 t -60.7 -37.72 76.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.59 177.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.08 89.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.95 0.405 . . . . 0.0 110.935 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.07 -47.91 40.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.973 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' A' ' 84' ' ' CYS . 6.2 p -67.78 -23.6 65.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.764 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -59.58 -45.68 91.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.496 174.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -62.5 -35.01 78.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.538 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.654 ' HB1' ' HB1' ' A' ' 45' ' ' ALA . . . -88.57 -3.64 58.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.351 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 60.23 56.6 3.21 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.371 0.605 . . . . 0.0 111.348 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 79' ' ' SER . 51.0 t -136.73 80.74 1.84 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.216 176.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.587 HD22 HG11 ' A' ' 76' ' ' VAL . 95.1 mt -130.47 136.03 48.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.843 -173.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.516 ' HB2' ' O ' ' A' ' 18' ' ' THR . 86.9 mmm . . . . . 0 C--N 1.323 -0.573 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 169.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.3 t70 . . . . . 0 N--CA 1.464 0.257 0 CA-C-O 121.323 0.582 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.641 HG11 ' HB ' ' A' ' 32' ' ' VAL . 2.7 p -130.32 93.89 2.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.047 172.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.547 ' HE2' ' HB3' ' A' ' 30' ' ' ASN . 41.3 tttm -75.96 141.72 42.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.128 -174.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.39 136.01 38.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.412 -173.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.446 ' HG2' ' HA3' ' A' ' 68' ' ' GLY . 10.2 pt-20 -64.34 -39.7 94.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.485 173.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 54.8 mttp -128.34 100.66 22.61 Favored Pre-proline 0 N--CA 1.447 -0.605 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.088 178.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -47.64 154.87 1.64 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.937 3.091 . . . . 0.0 113.716 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.482 HG21 ' HG3' ' A' ' 72' ' ' ARG . 53.1 t -126.86 127.89 70.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.243 -172.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.414 HG21 HG12 ' A' ' 28' ' ' ILE . 13.1 m -108.35 126.31 52.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.146 177.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.7 tt -119.0 144.41 27.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.496 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.0 t -104.61 134.82 47.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.771 0.32 . . . . 0.0 110.684 176.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.2 mp -84.54 176.66 8.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.198 172.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -59.46 -29.79 68.06 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -174.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -93.64 1.23 56.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.157 0.503 . . . . 0.0 110.372 -174.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.23 71.9 1.3 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.153 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.35 110.06 8.93 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -74.84 109.24 2.88 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.944 2.429 . . . . 0.0 112.794 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 -100.45 120.67 40.34 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.59 172.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.414 HG12 HG21 ' A' ' 18' ' ' THR . 53.7 mt -106.94 124.69 62.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -177.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -102.49 136.47 42.25 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.932 -178.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.547 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . 28.5 m-80 -84.18 -19.47 34.02 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.02 177.69 34.64 Favored Glycine 0 N--CA 1.439 -1.12 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.219 -178.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.641 ' HB ' HG11 ' A' ' 11' ' ' VAL . 47.8 t -62.91 -39.81 86.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 C-N-CA 123.075 0.55 . . . . 0.0 111.077 -176.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -60.26 -41.04 92.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.97 -172.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -64.07 -36.64 84.68 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.48 178.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.59 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -64.88 -43.25 93.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.459 176.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.447 ' HA ' HD13 ' A' ' 39' ' ' LEU . 85.1 t80 -62.95 -43.06 99.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.09 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -66.21 -40.97 90.73 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.417 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -60.21 -45.27 93.75 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.413 175.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 95.0 mt -54.32 -31.6 54.62 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.732 178.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -87.52 -33.0 19.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.196 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -87.32 -90.38 0.12 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.064 -173.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.411 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 2.9 mp0 -98.86 24.66 7.41 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -169.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.511 ' HB2' ' HA ' ' A' ' 39' ' ' LEU . 70.4 t-105 -75.24 108.9 6.32 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 174.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 42' ' ' GLU . 82.0 Cg_endo -93.39 -0.0 3.43 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.096 2.531 . . . . 0.0 113.652 -173.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.491 ' HB3' ' NE1' ' A' ' 43' ' ' TRP . . . -82.78 105.97 14.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.254 0.55 . . . . 0.0 111.245 -176.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 46' ' ' ARG . 42.4 mtm-85 -80.34 152.56 28.88 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.246 178.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 157.32 -26.53 0.48 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.639 -177.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 t70 73.48 -71.69 0.13 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.674 0.789 . . . . 0.0 111.897 174.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.414 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 78.8 mtm180 -61.64 -50.83 70.94 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 121.281 -0.168 . . . . 0.0 111.264 -178.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.24 -32.58 68.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.284 0.564 . . . . 0.0 110.506 176.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -68.54 -46.53 69.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.354 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -62.88 -37.15 85.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.279 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.515 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 90.2 mt-30 -57.71 -45.28 85.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.741 0.305 . . . . 0.0 110.523 178.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.32 92.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.449 HD13 HD12 ' A' ' 39' ' ' LEU . 10.9 mp -67.26 -41.31 85.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.805 178.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.0 tpt85 -58.95 -42.05 88.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.818 178.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 44.8 mt -64.64 -43.79 92.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.529 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.481 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 84.1 m -68.25 -42.58 79.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.825 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.483 ' O ' ' HG3' ' A' ' 63' ' ' MET . 41.8 ttm180 -62.55 -38.1 88.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.665 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.86 -36.41 83.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.193 0.521 . . . . 0.0 110.609 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.542 ' HB2' HG11 ' A' ' 32' ' ' VAL . 20.1 m -71.9 -35.02 69.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.36 178.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 95.1 mt -67.39 -26.53 66.49 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.355 177.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.483 ' HG3' ' O ' ' A' ' 59' ' ' ARG . 89.7 mtp -69.48 -26.43 64.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.245 0.545 . . . . 0.0 109.697 173.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.49 6.54 57.42 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.439 -0.8 . . . . 0.0 113.318 175.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -106.38 24.92 11.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.501 0.65 . . . . 0.0 110.813 -175.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.442 ' HB ' ' HA ' ' A' ' 61' ' ' SER . 78.6 t -132.59 133.83 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.44 177.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.01 148.88 35.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.849 173.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.446 ' HA3' ' HG2' ' A' ' 14' ' ' GLU . . . -56.73 -49.85 67.5 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 116.114 -0.493 . . . . 0.0 113.736 -172.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -65.77 -25.9 67.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.019 0.41 . . . . 0.0 111.913 -175.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.4 mt -62.2 -52.44 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 176.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.23 -37.09 84.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.125 175.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.482 ' HG3' HG21 ' A' ' 17' ' ' VAL . 38.5 ttp85 -60.03 -48.82 80.15 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.78 0.324 . . . . 0.0 111.03 -179.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.6 m -62.1 -44.84 95.77 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.839 -177.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.74 -27.43 64.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.509 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -69.62 -34.03 73.48 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.982 0.42 . . . . 0.0 110.083 178.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.8 t -67.85 -35.67 73.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.285 0.564 . . . . 0.0 109.802 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.44 90.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.747 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.74 -42.11 82.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.236 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.8 p -71.96 -16.65 62.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.929 0.395 . . . . 0.0 111.156 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 80' ' ' ARG . 41.4 ttt-85 -67.71 -33.08 74.17 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.215 175.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? -64.29 -36.84 85.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.321 0.582 . . . . 0.0 109.752 177.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.449 ' HB1' ' HB1' ' A' ' 45' ' ' ALA . . . -77.98 -8.27 57.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.676 176.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 61.34 23.71 13.91 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.727 -177.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 67.7 m -117.78 75.43 0.99 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.374 0.607 . . . . 0.0 110.248 -177.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 97.1 mt -94.54 148.47 22.22 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.458 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 12.5 tpt . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.433 0.635 . . . . 0.0 109.661 177.7 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 121.72 0.771 . . . . 0.0 111.761 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.607 HG21 ' HB ' ' A' ' 32' ' ' VAL . 1.3 m -84.87 110.52 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 168.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -75.05 129.56 37.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.415 -172.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.75 141.4 37.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.426 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -79.25 -64.35 1.21 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 175.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.1 mmtt -99.2 108.48 50.09 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.368 169.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.424 ' HB3' ' HA ' ' A' ' 30' ' ' ASN . 57.3 Cg_endo -70.29 166.66 27.53 Favored 'Trans proline' 0 CA--C 1.528 0.22 0 C-N-CA 123.433 2.755 . . . . 0.0 113.212 -176.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.461 HG21 ' HG3' ' A' ' 72' ' ' ARG . 46.0 t -104.39 132.86 50.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.594 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.8 m -102.67 110.25 22.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.879 0.371 . . . . 0.0 111.038 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.437 ' CG1' ' HE2' ' A' ' 29' ' ' PHE . 29.2 mm -111.48 114.34 46.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.24 177.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.5 p -90.49 123.4 34.15 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.66 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.2 mt -82.95 176.57 9.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.642 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -58.41 -28.96 65.72 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.058 0.456 . . . . 0.0 111.686 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -75.33 -2.46 28.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.337 -177.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.31 26.44 57.39 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.519 -176.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.409 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -105.88 110.58 64.24 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 120.715 0.293 . . . . 0.0 110.546 -178.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 4.8 Cg_exo -78.98 107.92 2.31 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 123.374 2.716 . . . . 0.0 112.183 178.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -88.03 122.42 31.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.68 174.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.1 mt -104.52 109.23 26.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.761 -178.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.585 ' HD1' ' HG2' ' A' ' 34' ' ' GLU . 35.5 m-85 -90.45 111.6 22.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.594 -175.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.424 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 34.1 m-80 -95.4 8.35 43.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.754 -177.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -147.08 141.38 9.33 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 176.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.607 ' HB ' HG21 ' A' ' 11' ' ' VAL . 57.3 t -61.91 -37.22 77.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 117.057 0.428 . . . . 0.0 110.93 -177.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -60.43 -36.7 78.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.857 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.585 ' HG2' ' HD1' ' A' ' 29' ' ' PHE . 85.2 tt0 -63.48 -40.73 97.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.931 0.396 . . . . 0.0 110.303 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.538 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -66.63 -44.64 81.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.353 176.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.431 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 92.9 t80 -58.32 -45.6 87.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.654 178.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -60.76 -47.37 86.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.404 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -56.98 -44.95 83.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.556 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.1 mt -60.61 -30.58 69.92 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.833 -177.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -96.9 -8.86 29.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.814 0.34 . . . . 0.0 111.569 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -93.14 -69.36 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.889 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -144.15 77.31 1.54 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.917 0.389 . . . . 0.0 111.63 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.429 ' C ' ' H ' ' A' ' 45' ' ' ALA . 61.9 t-105 -82.23 121.65 78.8 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 170.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 43' ' ' TRP . 17.2 Cg_exo -69.2 36.71 0.21 Allowed 'Trans proline' 0 N--CA 1.481 0.776 0 C-N-CA 123.479 2.786 . . . . 0.0 113.637 -178.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.429 ' H ' ' C ' ' A' ' 43' ' ' TRP . . . -169.36 172.96 6.86 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -75.77 -82.36 0.07 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 172.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.878 ' HA3' ' HB2' ' A' ' 51' ' ' HIS . . . 124.71 -49.17 0.92 Allowed Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.727 171.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.541 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 9.8 m-20 51.9 -120.66 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.905 0.415 . . . . 0.0 110.649 -177.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -56.86 -45.18 82.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.673 0.273 . . . . 0.0 110.864 -178.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.38 84.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -176.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.878 ' HB2' ' HA3' ' A' ' 47' ' ' GLY . 57.9 t-80 -71.19 -44.81 64.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.268 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.614 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 11.0 mm-40 -68.95 -45.34 71.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.865 -177.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.471 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 92.6 mt-30 -56.37 -44.15 79.88 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-O 120.545 0.212 . . . . 0.0 110.757 176.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.3 -45.57 84.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.025 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.1 mt -61.72 -43.64 98.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.649 178.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.614 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 73.9 mtp180 -63.75 -39.71 94.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.855 -179.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 83.2 mt -65.21 -42.27 93.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.763 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.431 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 75.3 m -64.41 -38.95 92.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.507 177.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' A' ' 63' ' ' MET . 39.0 mtp85 -67.69 -38.51 83.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.98 179.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.48 -34.33 75.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.149 0.499 . . . . 0.0 110.562 176.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.476 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 19.8 m -68.53 -37.8 80.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.41 177.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 88.9 mt -73.09 -6.67 47.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.077 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.462 ' HG3' ' O ' ' A' ' 59' ' ' ARG . 66.7 mtt -98.86 -20.63 16.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.817 178.052 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.79 5.19 55.38 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.885 -175.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -78.25 -32.37 49.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.42 0.628 . . . . 0.0 109.466 177.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 61' ' ' SER . 48.5 t -125.58 131.77 71.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.306 175.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.54 -30.83 61.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.296 0.57 . . . . 0.0 110.481 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 135.42 -24.92 3.33 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.802 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -47.98 77.22 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.796 0.331 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 71.7 mt -66.14 -40.6 87.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.003 0.43 . . . . 0.0 109.962 177.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.9 93.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.978 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.461 ' HG3' HG21 ' A' ' 17' ' ' VAL . 41.1 ttp180 -62.12 -49.39 76.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.985 0.421 . . . . 0.0 110.55 178.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.6 m -61.57 -41.95 98.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.812 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.85 -35.07 74.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.97 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -62.86 -43.96 97.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.342 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.439 ' O ' ' HG3' ' A' ' 80' ' ' ARG . 91.6 t -62.48 -39.91 86.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.074 177.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.73 -37.55 87.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.97 178.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.0 -35.32 64.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.898 0.38 . . . . 0.0 110.878 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 t -66.68 -20.85 66.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.086 0.469 . . . . 0.0 110.274 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.874 ' HG2' HD11 ' A' ' 85' ' ' LEU . 86.5 mtt180 -62.67 -36.26 82.3 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.064 174.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -73.13 -27.13 61.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.118 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.68 -6.32 58.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.896 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 65.29 42.52 3.91 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.811 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.7 t -147.87 92.6 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.158 0.504 . . . . 0.0 109.862 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.874 HD11 ' HG2' ' A' ' 80' ' ' ARG . 90.5 mt -113.89 126.34 55.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.784 178.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 85.8 mmm . . . . . 0 C--N 1.32 -0.693 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.255 172.533 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.9 t70 . . . . . 0 C--O 1.233 0.233 0 CA-C-O 121.332 0.586 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.2 t -80.51 115.84 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 174.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.626 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 57.0 mttp -86.52 154.12 21.33 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.329 0.585 . . . . 0.0 112.083 -173.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.88 151.01 34.05 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.855 -175.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -89.42 -35.14 16.19 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 174.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.491 ' HE2' ' OE1' ' A' ' 69' ' ' GLU . 33.8 mttm -119.86 99.01 49.41 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.239 -0.891 . . . . 0.0 108.631 169.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.28 146.95 87.11 Favored 'Trans proline' 0 N--CA 1.474 0.34 0 C-N-CA 123.223 2.616 . . . . 0.0 113.233 -174.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.47 HG23 ' HG3' ' A' ' 72' ' ' ARG . 47.3 t -100.63 130.72 49.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.493 -178.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.0 m -109.77 106.9 16.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.883 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.474 ' O ' ' HA ' ' A' ' 26' ' ' PRO . 8.1 tp -89.04 114.12 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -179.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.63 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 16.9 t -83.84 98.93 10.0 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.056 -177.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.1 mt -82.45 130.24 35.07 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 175.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -44.64 -55.23 5.4 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.842 0.714 . . . . 0.0 111.922 -174.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -116.16 1.18 13.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.559 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.8 -2.34 55.18 Favored Glycine 0 C--O 1.236 0.238 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.505 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 74.72 150.64 0.13 Allowed Pre-proline 0 N--CA 1.468 0.436 0 C-N-CA 123.52 0.728 . . . . 0.0 112.098 176.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.63 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 27.4 Cg_exo -62.96 103.78 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.031 2.488 . . . . 0.0 111.477 173.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -99.85 137.96 37.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.605 -178.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.5 mt -96.1 123.31 48.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.929 -174.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -88.58 118.81 28.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.131 175.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -82.37 -38.86 23.56 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.527 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.626 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -125.82 155.11 18.96 Favored Glycine 0 N--CA 1.443 -0.881 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.542 -177.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.496 HG11 ' HB2' ' A' ' 61' ' ' SER . 45.1 t -66.44 -30.95 51.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.033 0.444 . . . . 0.0 109.901 178.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -67.84 -36.47 80.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.761 176.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -64.39 -37.64 88.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.447 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.476 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -69.38 -47.22 64.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.478 175.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -55.43 -42.47 74.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.538 177.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -59.8 -46.49 89.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.886 177.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -61.07 -40.62 94.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.995 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.0 mt -60.37 -37.96 82.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.578 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -85.41 -15.38 43.25 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -75.54 -64.33 1.09 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 174.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -174.84 92.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.172 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -73.98 136.26 76.62 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.679 171.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -61.84 109.8 0.86 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.898 2.399 . . . . 0.0 112.887 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 89.86 175.99 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.93 1.292 . . . . 0.0 111.251 177.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -134.34 -175.87 4.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.298 -174.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 164.82 -98.39 0.15 Allowed Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 175.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.492 ' CG ' ' H ' ' A' ' 49' ' ' ARG . 36.7 p-10 -172.44 -79.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.648 0.261 . . . . 0.0 111.151 177.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.492 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 3.9 mtt180 -76.87 -25.75 53.44 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.507 -170.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.4 -37.32 85.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.247 0.546 . . . . 0.0 110.106 175.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -79.14 -40.61 30.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.674 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -62.16 -53.5 54.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.973 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -64.87 -36.39 84.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.054 -177.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.13 -47.39 81.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.874 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.21 -42.55 88.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.81 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 66.2 mtt85 -61.98 -46.46 89.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.276 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.89 -39.3 90.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.924 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.572 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 75.0 m -63.97 -44.97 91.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.739 0.304 . . . . 0.0 110.365 176.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -58.45 -48.89 79.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.796 178.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.95 -36.82 77.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.113 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.496 ' HB2' HG11 ' A' ' 32' ' ' VAL . 22.6 m -66.55 -41.98 87.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.379 177.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 71.3 mt -71.4 -15.55 62.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.886 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 85.1 mtp -97.73 5.62 49.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.803 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.55 8.23 87.72 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.211 -0.519 . . . . 0.0 113.348 176.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -88.94 -21.02 23.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.944 0.402 . . . . 0.0 110.708 -177.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.1 t -124.76 136.73 59.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.519 175.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.68 -32.13 65.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.35 . . . . 0.0 111.483 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 137.27 -47.98 0.93 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.114 -1.041 . . . . 0.0 113.232 174.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.491 ' OE1' ' HE2' ' A' ' 15' ' ' LYS . 36.9 mt-10 -63.03 -29.75 71.06 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -175.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 72.1 mt -57.85 -45.38 87.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.129 0.49 . . . . 0.0 110.107 174.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.85 -30.48 65.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.524 178.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.47 ' HG3' HG23 ' A' ' 17' ' ' VAL . 11.9 ttt85 -60.79 -54.11 49.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 177.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.5 m -63.7 -35.0 79.11 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.109 0.481 . . . . 0.0 110.816 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.03 -30.97 65.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.194 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -62.32 -43.01 99.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.213 0.53 . . . . 0.0 109.63 178.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 82.9 t -63.39 -39.82 86.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.424 176.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.87 -39.76 94.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.937 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.85 -32.31 72.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.005 0.431 . . . . 0.0 110.733 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.0 m -69.23 -13.13 62.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.066 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -68.38 -34.47 76.09 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.187 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -65.58 -34.57 78.55 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.111 0.481 . . . . 0.0 110.371 178.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.52 -13.19 57.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.357 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 61.75 20.41 11.37 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.444 -177.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.2 t -103.43 60.79 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.314 0.578 . . . . 0.0 110.386 -173.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.0 mt -88.43 140.47 29.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.317 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.7 ttp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.583 -178.169 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 CA--C 1.516 -0.359 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.0 t -82.5 111.43 18.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.55 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 87.2 tttt -67.24 136.27 54.7 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.127 -175.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.73 144.21 55.54 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.861 175.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -58.41 -44.16 88.94 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.452 ' HD2' ' HA ' ' A' ' 15' ' ' LYS . 7.7 tptm -131.56 108.75 14.57 Favored Pre-proline 0 N--CA 1.446 -0.639 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.723 171.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -49.51 151.7 6.94 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 124.232 3.288 . . . . 0.0 113.937 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.3 t -105.87 139.17 27.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.972 -176.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.8 m -101.1 117.83 35.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.667 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.1 mm -105.34 125.6 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.471 177.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.9 m -86.47 96.63 10.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.006 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.404 ' C ' ' H ' ' A' ' 23' ' ' ASN . 89.0 mt -63.91 149.36 47.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.342 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -70.41 8.93 0.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.863 -178.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.404 ' H ' ' C ' ' A' ' 21' ' ' LEU . 15.3 m120 -109.06 9.66 26.26 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 176.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.42 50.03 8.67 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.0 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -140.94 114.58 7.09 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.708 0.29 . . . . 0.0 111.48 -177.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.88 94.36 1.06 Allowed 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 123.105 2.537 . . . . 0.0 111.627 175.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -90.11 116.63 28.27 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.018 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.4 mt -98.9 120.91 48.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.317 -177.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -95.91 120.7 36.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.253 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -80.08 -45.35 18.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.125 0.488 . . . . 0.0 109.861 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.55 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -111.7 160.4 13.23 Favored Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.915 -174.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.495 HG13 ' HB3' ' A' ' 61' ' ' SER . 61.8 t -67.44 -32.46 57.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.401 -0.4 . . . . 0.0 111.072 -178.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -73.13 -36.8 66.77 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.169 -177.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -57.25 -46.46 83.01 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.135 0.493 . . . . 0.0 110.127 177.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.52 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -67.18 -46.45 73.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.849 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.472 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 49.1 t80 -57.76 -43.14 85.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.96 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -66.61 -43.48 84.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.584 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.73 -43.4 94.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.317 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.3 mt -58.17 -29.33 65.52 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.461 -178.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -88.93 -34.36 16.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.286 -177.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -75.11 -73.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.127 -178.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -140.08 76.97 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.209 0.528 . . . . 0.0 112.036 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -86.74 123.09 71.23 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 168.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -34.75 -64.72 0.14 Allowed 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 124.352 3.368 . . . . 0.0 114.494 -174.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.29 110.03 8.1 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 74.2 mtt85 -51.17 -81.61 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.734 0.646 . . . . 0.0 112.074 -174.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.52 -98.25 0.56 Allowed Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 120.159 -1.02 . . . . 0.0 112.973 174.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -168.96 -143.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.348 -0.426 . . . . 0.0 109.954 -173.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -51.7 -33.35 33.92 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 122.981 0.512 . . . . 0.0 111.43 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.94 -35.9 77.95 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.829 0.347 . . . . 0.0 111.469 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -74.89 -38.29 61.91 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -66.21 -38.72 88.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.044 178.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.507 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 26.5 tt0 -56.39 -49.94 73.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.657 175.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.41 -38.2 76.89 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.002 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.83 -48.84 72.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.59 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 56' ' ' ARG . 52.7 mtm-85 -61.88 -41.83 98.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.315 -179.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 92.7 mt -56.52 -50.35 72.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.837 178.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.472 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 57.1 m -67.74 -41.73 82.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.629 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -61.48 -46.53 89.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.977 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.401 ' HB1' ' HB3' ' A' ' 65' ' ' ASP . . . -76.93 -23.75 52.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.41 -178.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.495 ' HB3' HG13 ' A' ' 32' ' ' VAL . 14.5 t -67.74 -38.09 83.03 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.9 mt -68.5 -27.04 65.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.228 0.537 . . . . 0.0 110.452 177.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 51.4 ttm -79.62 -9.36 59.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.398 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.65 10.16 73.63 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.21 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.401 ' HB3' ' HB1' ' A' ' 60' ' ' ALA . 36.5 t70 -85.16 -48.91 8.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.055 0.455 . . . . 0.0 110.212 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.1 t -88.66 127.72 41.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.668 175.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.07 20.44 0.14 Allowed 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -175.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.02 -55.23 3.52 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 121.175 -0.536 . . . . 0.0 113.582 175.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -56.23 -47.9 77.55 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.555 0.342 . . . . 0.0 111.372 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 62.3 mt -59.88 -38.4 76.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.854 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.21 -37.5 87.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.837 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.9 ttm105 -61.79 -50.3 72.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.816 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.9 m -59.95 -48.64 80.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.309 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.46 -25.07 61.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.36 -177.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -64.87 -49.75 69.31 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 175.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.436 ' O ' ' HG3' ' A' ' 80' ' ' ARG . 93.8 t -61.41 -43.59 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.155 177.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.41 -39.2 75.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.405 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.0 -39.61 63.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.108 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.6 p -69.0 -12.53 61.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.805 -178.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.569 ' HG2' HD13 ' A' ' 85' ' ' LEU . 82.7 mtt-85 -65.3 -33.04 75.04 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.778 0.323 . . . . 0.0 110.2 177.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -62.57 -40.35 96.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.766 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.27 -8.06 58.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 61.25 25.91 15.83 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.98 -177.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.8 t -89.13 26.0 1.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.78 0.8 . . . . 0.0 109.571 -178.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.569 HD13 ' HG2' ' A' ' 80' ' ' ARG . 88.4 mt -76.2 154.17 35.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.997 -174.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 7.2 tmm? . . . . . 0 C--N 1.32 -0.701 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 166.506 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.4 t70 . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 121.146 0.498 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.0 t -89.96 134.75 28.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -177.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.532 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 13.4 mptt -86.89 150.41 24.12 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.877 -178.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.06 158.51 21.41 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.575 178.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -80.91 -59.67 2.58 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 175.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.2 mmtm -93.71 129.2 39.0 Favored Pre-proline 0 N--CA 1.45 -0.461 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.728 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.16 143.3 99.54 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 123.198 2.598 . . . . 0.0 112.804 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.448 HG23 ' HG3' ' A' ' 72' ' ' ARG . 61.8 t -109.32 109.61 29.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.238 179.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.9 m -98.86 112.4 24.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.181 -177.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.1 mm -99.76 115.34 40.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.272 177.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.411 ' HB3' ' HG2' ' A' ' 86' ' ' MET . 5.4 p -89.37 94.76 10.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.135 0.493 . . . . 0.0 110.397 177.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.0 mt -75.88 162.67 27.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.801 -178.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -75.57 8.44 2.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.092 -172.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -92.24 -5.34 52.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.656 173.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.61 46.59 7.23 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -174.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.97 112.28 10.42 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.681 0.277 . . . . 0.0 110.851 -177.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -82.11 94.08 0.91 Allowed 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.721 2.28 . . . . 0.0 111.526 174.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -89.04 114.9 26.16 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.142 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.3 mt -96.54 116.69 39.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.273 -178.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -87.25 149.9 24.26 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.686 -178.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -115.59 -33.99 5.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.455 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.532 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -110.71 158.19 14.54 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.152 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.513 HG13 ' HB3' ' A' ' 61' ' ' SER . 44.9 t -79.35 -36.43 17.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.611 0.244 . . . . 0.0 111.074 -179.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -73.97 -37.37 64.51 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.827 -176.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -63.85 -28.38 69.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.873 0.368 . . . . 0.0 110.396 176.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.519 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -75.84 -43.62 44.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.198 174.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.445 ' HA ' HD13 ' A' ' 39' ' ' LEU . 90.3 t80 -55.62 -46.17 77.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.762 175.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.53 -42.75 99.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.551 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -57.9 -46.33 85.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.791 176.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 84.2 mt -57.35 -41.82 80.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.631 -178.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -67.6 -44.06 79.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.236 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -75.66 -44.45 42.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.887 -173.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -158.8 77.89 0.76 Allowed 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.004 -0.678 . . . . 0.0 112.335 -175.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.485 ' HB2' ' HA ' ' A' ' 39' ' ' LEU . 65.6 t-105 -108.73 119.94 47.65 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 168.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -45.63 -34.91 12.07 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.861 3.041 . . . . 0.0 113.982 -175.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.31 101.21 9.63 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 175.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 46' ' ' ARG . 52.3 mtt85 -99.3 83.02 2.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.597 -173.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.92 -23.41 6.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 119.674 -1.25 . . . . 0.0 114.406 170.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -69.24 163.49 24.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.97 0.414 . . . . 0.0 111.2 -173.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.493 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 0.9 OUTLIER -52.39 -36.28 53.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.879 175.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.03 -37.19 71.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.033 0.444 . . . . 0.0 110.547 177.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -71.52 -46.79 58.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.707 177.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -59.36 -47.08 86.76 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.809 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 49' ' ' ARG . 89.9 mt-30 -60.37 -48.0 83.65 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.711 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.26 -50.03 62.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.387 -177.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.3 -49.08 73.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.531 -179.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -68.55 -37.65 80.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.184 -173.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.0 mt -69.71 -38.12 76.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.868 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.6 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 89.4 m -63.05 -41.73 99.55 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 175.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.448 ' O ' ' HG3' ' A' ' 63' ' ' MET . 39.8 ttm180 -62.38 -44.36 96.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.744 176.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.43 -28.05 69.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.065 0.459 . . . . 0.0 110.743 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.513 ' HB3' HG13 ' A' ' 32' ' ' VAL . 14.0 t -72.58 -42.01 65.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.826 175.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 60.1 mt -62.18 -38.58 89.6 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.493 177.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.448 ' HG3' ' O ' ' A' ' 59' ' ' ARG . 93.2 mtp -69.66 -19.53 63.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.898 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.25 23.16 10.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.972 -0.633 . . . . 0.0 113.286 175.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -104.37 -40.02 6.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.427 -0.455 . . . . 0.0 111.128 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.4 t -94.35 115.31 32.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 176.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.51 91.55 4.96 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -174.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.18 -87.83 0.03 OUTLIER Glycine 0 CA--C 1.522 0.49 0 N-CA-C 115.043 0.777 . . . . 0.0 115.043 168.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -52.27 -43.91 64.67 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.553 0.741 . . . . 0.0 112.352 -171.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.1 mp -61.12 -45.26 98.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.973 0.416 . . . . 0.0 110.513 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.57 -38.83 84.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.94 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.469 ' O ' HG23 ' A' ' 76' ' ' VAL . 37.9 ttp180 -61.96 -47.81 83.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.624 -178.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 m -65.49 -41.16 93.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.255 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.68 -35.03 78.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.778 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.462 ' CZ ' HD23 ' A' ' 39' ' ' LEU . 5.3 t80 -63.39 -47.55 81.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.712 177.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 72' ' ' ARG . 86.5 t -60.35 -38.03 76.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.983 178.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.01 -34.96 75.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.9 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.55 -42.87 58.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.283 176.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.4 m -60.9 -28.35 68.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.405 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.519 ' HG2' HD13 ' A' ' 85' ' ' LEU . 57.8 mtp180 -59.23 -43.28 92.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.9 0.381 . . . . 0.0 111.333 177.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -73.96 -17.7 60.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.803 -176.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.6 -10.45 25.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.429 175.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 65.33 30.14 11.23 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.233 -178.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 66.0 m -103.86 66.35 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.407 0.622 . . . . 0.0 109.862 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.519 HD13 ' HG2' ' A' ' 80' ' ' ARG . 88.8 mt -108.31 140.69 41.22 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.549 -175.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.411 ' HG2' ' HB3' ' A' ' 20' ' ' SER . 8.9 mmm . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.846 176.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.3 t -106.57 139.57 27.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.13 -178.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.513 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 58.1 mttp -95.25 153.71 17.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.072 0.463 . . . . 0.0 111.176 179.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.43 141.05 29.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.611 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -70.71 -40.91 72.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.243 0.544 . . . . 0.0 110.008 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.552 ' HB2' ' HD2' ' A' ' 72' ' ' ARG . 74.5 mmtt -109.7 122.77 38.25 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.122 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 15' ' ' LYS . 15.9 Cg_exo -67.81 142.81 58.91 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.794 2.329 . . . . 0.0 112.631 -179.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.7 t -118.15 122.76 70.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.478 175.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.639 ' HB ' ' HG2' ' A' ' 86' ' ' MET . 23.6 m -108.01 96.21 6.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.22 0.533 . . . . 0.0 110.774 -176.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.424 ' CG1' ' HE2' ' A' ' 29' ' ' PHE . 16.0 mm -88.75 104.52 14.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -176.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.739 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 0.5 OUTLIER -86.73 99.82 12.05 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.847 177.634 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.6 mt -76.42 168.15 20.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.586 -174.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -66.1 -11.15 46.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.642 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -70.21 -14.07 62.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.394 175.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.51 31.17 11.86 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.112 -0.566 . . . . 0.0 112.499 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -144.47 119.61 5.99 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.667 0.27 . . . . 0.0 111.472 -178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.739 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 6.8 Cg_exo -75.65 110.16 3.04 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 123.288 2.658 . . . . 0.0 112.089 173.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -95.05 114.86 26.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.215 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.7 mt -85.17 119.9 34.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.401 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.424 ' HE2' ' CG1' ' A' ' 19' ' ' ILE . 66.0 m-85 -100.12 109.47 21.75 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.891 176.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -100.55 -10.7 20.76 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 175.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.513 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -115.18 133.7 11.14 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 175.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.482 HG12 ' HB2' ' A' ' 61' ' ' SER . 37.7 t -69.21 -35.74 69.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.966 0.412 . . . . 0.0 110.605 -177.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -66.09 -36.85 84.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.386 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.415 ' OE2' ' HA3' ' A' ' 31' ' ' GLY . 14.0 mt-10 -62.58 -40.98 98.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.839 177.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.471 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -72.3 -34.93 68.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 178.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -57.09 -51.59 68.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.56 177.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.97 -40.66 96.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.837 177.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -57.84 -46.06 85.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.046 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 97.6 mt -63.1 -36.28 83.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.53 -179.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -78.71 -36.69 43.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.798 -178.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -62.37 -67.25 0.43 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.69 -176.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -164.64 89.57 0.51 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.288 0.566 . . . . 0.0 111.934 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.433 ' C ' ' H ' ' A' ' 45' ' ' ALA . 65.8 t-105 -85.74 136.51 36.75 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 164.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.4 14.54 0.14 Allowed 'Trans proline' 0 N--CA 1.479 0.624 0 C-N-CA 123.091 2.527 . . . . 0.0 114.18 -176.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' A' ' 43' ' ' TRP . . . -162.4 70.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.277 0.56 . . . . 0.0 109.501 177.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.7 ptt-85 -104.2 138.52 40.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.502 -177.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.81 -18.18 7.15 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 -176.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -87.14 145.71 26.32 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.301 -0.449 . . . . 0.0 110.51 -177.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -71.71 -17.18 62.23 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -173.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.52 -40.42 23.2 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -59.91 -37.03 78.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.88 171.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -77.11 -31.6 55.95 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.522 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -54.54 -47.19 73.47 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 174.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.46 -44.35 87.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.588 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.5 tp -59.95 -45.53 92.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.241 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -61.51 -40.62 95.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.643 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.449 HD11 ' HB3' ' A' ' 74' ' ' ALA . 80.5 mt -69.47 -35.68 75.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.012 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.644 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 71.9 m -60.02 -43.29 95.38 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 176.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.7 ttt180 -62.73 -45.56 92.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.0 176.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.89 -27.41 67.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.498 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.482 ' HB2' HG12 ' A' ' 32' ' ' VAL . 49.6 m -69.36 -36.99 77.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.915 0.388 . . . . 0.0 109.98 176.06 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 41.1 mt -68.52 -20.38 64.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.535 0.683 . . . . 0.0 109.832 177.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 76.4 mtp -88.65 -1.93 58.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.438 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.75 19.31 77.97 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.384 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -95.13 -33.19 12.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.13 0.49 . . . . 0.0 110.765 -176.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.488 HG13 ' HB ' ' A' ' 70' ' ' ILE . 93.2 t -111.04 110.59 32.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.091 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.47 89.7 7.77 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -175.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.48 -93.96 0.07 OUTLIER Glycine 0 CA--C 1.523 0.539 0 N-CA-C 115.539 0.976 . . . . 0.0 115.539 166.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.447 ' HG3' ' HD3' ' A' ' 72' ' ' ARG . 38.4 tt0 -58.37 -29.14 65.78 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -169.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.488 ' HB ' HG13 ' A' ' 66' ' ' VAL . 59.7 mt -60.63 -51.17 76.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.292 0.567 . . . . 0.0 109.964 177.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.02 85.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.09 176.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.552 ' HD2' ' HB2' ' A' ' 15' ' ' LYS . 16.7 ttt180 -55.49 -51.21 67.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.7 176.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 m -54.43 -46.76 73.3 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.973 -177.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.449 ' HB3' HD11 ' A' ' 57' ' ' LEU . . . -76.41 -30.92 57.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.621 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -64.5 -42.42 95.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.107 0.48 . . . . 0.0 109.783 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 72' ' ' ARG . 95.9 t -64.15 -39.17 84.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.056 176.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.52 -43.29 89.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.955 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.18 -38.85 82.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.99 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.5 m -69.24 -20.19 63.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.064 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -58.74 -36.54 74.49 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.038 0.447 . . . . 0.0 110.558 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -71.53 -16.43 62.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.105 -177.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.68 -4.89 58.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.237 176.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 59.8 m80 60.99 26.94 16.86 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.441 177.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.5 t -140.38 87.32 2.13 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.8 mt -97.44 122.71 40.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.632 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.639 ' HG2' ' HB ' ' A' ' 18' ' ' THR . 49.1 ttm . . . . . 0 C--N 1.317 -0.836 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.673 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 121.285 0.564 . . . . 0.0 110.147 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.3 t -103.99 116.33 47.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.38 -177.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -67.98 128.44 36.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.912 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.567 ' HB3' ' HB3' ' A' ' 16' ' ' PRO . 1.0 OUTLIER -89.8 104.07 16.67 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.151 -176.508 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -65.29 -51.53 60.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.27 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.44 ' HD2' ' HG2' ' A' ' 69' ' ' GLU . 95.6 mttt -112.88 84.37 6.73 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 174.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.567 ' HB3' ' HB3' ' A' ' 13' ' ' TRP . 98.1 Cg_endo -83.38 -173.45 1.65 Allowed 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.97 2.447 . . . . 0.0 113.194 -170.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.517 HG23 ' HG3' ' A' ' 72' ' ' ARG . 88.8 t -113.73 120.38 63.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.543 178.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.2 m -88.54 94.75 9.98 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 170.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.3 tt -88.8 111.43 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-O 121.56 0.695 . . . . 0.0 110.14 -170.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.517 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 19.2 m -83.6 99.83 10.43 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.788 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.9 mp -61.72 155.91 21.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.213 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.57 -15.19 25.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.194 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -81.55 4.45 21.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.021 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.54 37.2 36.04 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.217 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -133.46 109.51 12.35 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 120.683 0.278 . . . . 0.0 111.17 -177.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.517 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 5.8 Cg_exo -80.44 112.62 2.76 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 123.189 2.593 . . . . 0.0 112.064 176.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -97.62 120.75 38.56 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.367 176.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.5 mt -88.83 118.89 35.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.282 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -77.69 129.03 35.02 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.483 177.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -86.33 -27.24 24.43 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.404 0.621 . . . . 0.0 109.999 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.38 163.99 28.41 Favored Glycine 0 N--CA 1.441 -0.985 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.527 HG12 ' HB3' ' A' ' 61' ' ' SER . 26.1 t -68.0 -30.22 47.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 -177.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -66.71 -37.67 85.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 110.254 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -61.17 -36.82 80.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.242 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.581 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -67.3 -49.81 62.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.62 176.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.413 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 90.4 t80 -55.99 -45.54 78.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.916 178.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -65.3 -44.18 88.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.032 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -59.47 -37.12 77.4 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.818 0.342 . . . . 0.0 111.131 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 94.5 mt -64.36 -30.13 71.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.16 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -84.0 -21.62 31.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.628 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -78.8 -73.78 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -146.56 75.79 1.41 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.02 0.438 . . . . 0.0 111.587 -176.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.466 ' CE3' ' HD2' ' A' ' 44' ' ' PRO . 64.0 t-105 -86.46 126.1 65.44 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 170.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.466 ' HD2' ' CE3' ' A' ' 43' ' ' TRP . 55.7 Cg_exo -35.65 -60.61 0.32 Allowed 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 124.256 3.304 . . . . 0.0 114.461 -175.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -115.83 93.98 4.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.926 0.393 . . . . 0.0 111.172 -178.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 43' ' ' TRP . 90.8 mtm180 -97.65 143.56 28.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.076 -179.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.07 -32.49 3.96 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.832 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -90.35 -171.83 3.23 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.502 0.668 . . . . 0.0 111.376 -174.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.8 mtt85 -69.33 -33.21 72.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.73 -176.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.3 -54.38 47.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.019 -178.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.427 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 34.6 t-80 -59.42 -41.76 90.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.776 177.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -63.21 -53.8 47.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.712 -177.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.512 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 86.0 mt-30 -68.8 -31.74 70.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.041 -176.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.37 -38.44 83.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 110.257 175.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 51' ' ' HIS . 94.7 mt -64.17 -48.41 76.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.176 175.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -57.04 -45.61 83.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.214 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 58.3 mt -57.05 -49.79 74.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.561 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 41.3 m -69.12 -41.69 77.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.784 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.1 ttt-85 -59.73 -47.76 84.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.801 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.413 ' HB3' ' HB3' ' A' ' 65' ' ' ASP . . . -65.0 -36.57 84.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.731 178.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.527 ' HB3' HG12 ' A' ' 32' ' ' VAL . 12.6 t -64.6 -32.84 74.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.345 179.188 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 92.6 mt -73.69 -14.95 61.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.178 0.513 . . . . 0.0 110.945 178.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.5 mmm -94.75 -4.48 47.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.81 175.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.52 12.52 64.67 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.391 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.413 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 28.6 t70 -79.77 -34.67 39.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.04 0.448 . . . . 0.0 110.596 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.479 HG12 ' HB ' ' A' ' 70' ' ' ILE . 63.0 t -107.14 132.18 55.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.291 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.68 27.89 0.35 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.19 -57.16 4.03 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.797 175.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HG2' ' HD2' ' A' ' 15' ' ' LYS . 44.4 mt-10 -58.29 -44.41 88.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.753 0.311 . . . . 0.0 111.57 -176.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.479 ' HB ' HG12 ' A' ' 66' ' ' VAL . 71.8 mt -60.62 -35.89 66.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.745 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.79 95.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.647 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.517 ' HG3' HG23 ' A' ' 17' ' ' VAL . 25.5 ttt180 -60.94 -52.88 63.15 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.693 0.282 . . . . 0.0 110.847 178.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.9 m -59.41 -50.05 75.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.351 -176.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.15 -26.92 65.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.361 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.419 ' CE1' HD23 ' A' ' 39' ' ' LEU . 69.4 t80 -68.82 -44.04 74.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.217 178.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 72' ' ' ARG . 73.1 t -61.39 -38.89 81.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.274 178.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.11 94.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.832 177.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.48 -35.74 68.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.778 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.6 m -62.23 -25.26 67.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.028 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.722 ' HG3' HD11 ' A' ' 85' ' ' LEU . 77.3 ttt180 -62.72 -37.39 86.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -71.12 -13.08 61.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.675 -176.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -107.81 2.47 23.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.514 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.2 m80 61.09 21.13 11.56 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.478 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 9.7 t -98.77 62.12 1.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.722 HD11 ' HG3' ' A' ' 80' ' ' ARG . 73.4 mt -103.93 131.5 51.1 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -172.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 52.6 ttp . . . . . 0 C--N 1.323 -0.558 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 164.658 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 121.907 0.86 . . . . 0.0 109.954 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.0 t -89.9 112.5 24.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.844 -177.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.506 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 95.0 mttt -100.81 159.25 15.35 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 120.935 0.398 . . . . 0.0 111.415 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.86 -174.72 4.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.194 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -58.39 -65.28 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.291 175.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.534 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . 83.8 tttt 174.13 -56.86 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.133 -177.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.534 ' HD3' ' HB3' ' A' ' 15' ' ' LYS . 96.3 Cg_endo -80.27 78.98 3.47 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.828 1.686 . . . . 0.0 113.383 -175.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.502 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 24.2 t -116.56 87.04 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 173.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.54 HG22 HG12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -103.54 111.0 23.26 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.517 -174.635 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.592 ' O ' ' HA ' ' A' ' 26' ' ' PRO . 10.7 tt -102.17 137.84 28.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.743 178.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.526 ' HB3' ' O ' ' A' ' 84' ' ' CYS . 12.5 t -118.31 138.68 52.22 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.971 0.415 . . . . 0.0 109.91 -178.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.414 HD22 ' HG3' ' A' ' 44' ' ' PRO . 10.3 mp -118.05 171.71 7.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.574 -178.15 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -66.85 -14.87 63.18 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.166 0.507 . . . . 0.0 110.654 178.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -78.55 -2.1 37.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.65 177.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.71 49.01 52.57 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.376 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.06 100.36 7.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 120.685 0.279 . . . . 0.0 111.425 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.592 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 6.2 Cg_exo -79.93 116.77 3.47 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 123.368 2.712 . . . . 0.0 111.461 174.227 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.0 mtt85 -113.5 143.58 44.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.277 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.54 HG12 HG22 ' A' ' 18' ' ' THR . 63.5 mt -97.87 116.29 40.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.525 177.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -84.93 133.02 34.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.354 -0.384 . . . . 0.0 109.966 175.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -85.03 -34.53 22.29 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.506 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -142.24 178.97 20.47 Favored Glycine 0 N--CA 1.438 -1.168 0 CA-C-N 115.454 -0.794 . . . . 0.0 112.53 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.515 HG12 ' HB2' ' A' ' 61' ' ' SER . 17.6 t -78.29 -24.54 13.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.669 0.271 . . . . 0.0 111.267 -174.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -67.87 -43.51 79.23 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.422 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -59.43 -38.18 80.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.249 177.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.5 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -63.5 -50.8 68.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.711 177.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.514 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 72.2 t80 -63.02 -44.35 96.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.971 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -61.32 -41.68 97.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.225 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -61.63 -47.16 86.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.699 178.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.524 ' HA ' ' HB2' ' A' ' 43' ' ' TRP . 95.0 mt -60.48 -47.5 85.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -67.69 -38.44 83.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.816 -178.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -67.97 -61.24 1.96 Allowed 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.071 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -157.38 85.86 0.93 Allowed 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.354 0.597 . . . . 0.0 111.684 -177.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.567 ' CZ3' HD13 ' A' ' 19' ' ' ILE . 61.3 t-105 -101.04 110.81 62.21 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 168.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.414 ' HG3' HD22 ' A' ' 21' ' ' LEU . 73.2 Cg_endo -74.13 32.37 0.34 Allowed 'Trans proline' 0 N--CA 1.473 0.296 0 C-N-CA 123.372 2.714 . . . . 0.0 113.732 -172.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -145.51 132.78 20.54 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 mtm-85 -136.53 157.56 46.49 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.84 -98.41 0.11 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.194 -178.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.535 ' OD2' ' HG3' ' A' ' 49' ' ' ARG . 37.6 t70 -149.15 -103.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.725 0.263 . . . . 0.0 111.421 -177.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.535 ' HG3' ' OD2' ' A' ' 48' ' ' ASP . 83.6 mtt180 -78.27 -31.33 49.0 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -171.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.7 -31.19 71.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.094 0.473 . . . . 0.0 110.55 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -78.45 -42.18 30.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.672 178.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 98.4 mt-10 -61.31 -48.65 80.39 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.905 178.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -57.41 -43.86 84.11 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.296 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.68 -44.61 77.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.918 0.389 . . . . 0.0 110.809 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.1 mt -66.8 -41.12 88.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.874 179.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 95.5 mtt180 -66.11 -46.86 76.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.201 -178.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.8 mt -58.64 -40.86 84.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.514 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 74.0 m -65.5 -47.9 74.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.413 -179.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.2 mtm180 -70.67 -32.27 69.48 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.138 -177.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.33 95.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.108 0.48 . . . . 0.0 110.447 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.515 ' HB2' HG12 ' A' ' 32' ' ' VAL . 26.2 m -62.66 -35.22 78.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.92 179.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.7 mt -68.18 -17.29 64.29 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.59 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 71.5 mtm -97.74 -8.24 29.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.966 0.412 . . . . 0.0 110.614 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.37 7.29 58.25 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.6 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.04 -30.08 70.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.928 0.394 . . . . 0.0 111.132 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.44 HG11 ' HB ' ' A' ' 70' ' ' ILE . 44.2 t -121.5 134.35 65.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.169 -178.271 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.35 21.66 0.75 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.087 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.93 -45.13 3.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.003 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -55.14 -62.41 1.68 Allowed 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -177.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.44 ' HB ' HG11 ' A' ' 66' ' ' VAL . 67.4 mt -56.48 -36.43 47.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.178 0.513 . . . . 0.0 110.949 -178.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.414 ' HB1' HG13 ' A' ' 66' ' ' VAL . . . -68.86 -36.42 78.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.085 -178.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 76' ' ' VAL . 46.3 ttt180 -66.62 -47.67 71.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.647 0.26 . . . . 0.0 110.912 -176.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 p -70.32 -42.39 72.01 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 120.867 0.365 . . . . 0.0 111.192 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.53 -35.05 79.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.307 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -63.09 -45.14 93.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.168 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 72' ' ' ARG . 91.6 t -59.56 -39.64 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.481 178.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.6 -43.55 93.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.307 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.34 -32.05 70.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.056 0.455 . . . . 0.0 111.163 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.7 m -74.5 -2.6 26.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.814 -177.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -65.68 -12.62 55.13 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.76 0.314 . . . . 0.0 110.64 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -56.6 -36.14 69.07 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.723 175.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.01 -16.23 62.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.271 -178.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 20.1 m80 59.28 36.22 23.55 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.002 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.526 ' O ' ' HB3' ' A' ' 20' ' ' SER . 22.2 t -160.99 99.15 1.21 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.501 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 77.1 mt -122.19 178.41 4.94 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.525 177.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 47.3 mtp . . . . . 0 C--N 1.327 -0.394 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.167 172.213 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 121.19 0.519 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.422 HG21 ' O ' ' A' ' 61' ' ' SER . 61.1 t -98.12 110.53 25.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.409 -178.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -82.23 145.3 30.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.106 177.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.26 144.61 31.43 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.731 0.3 . . . . 0.0 110.592 178.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -61.18 -50.04 74.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.823 0.82 . . . . 0.0 108.997 175.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -127.39 103.79 22.4 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 114.317 -1.31 . . . . 0.0 109.146 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -51.24 147.82 20.1 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.779 2.986 . . . . 0.0 113.034 -176.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.2 t -107.31 125.83 63.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.484 -173.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.5 m -88.2 114.91 25.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.158 177.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.512 ' HB ' ' CE2' ' A' ' 29' ' ' PHE . 13.8 mm -119.78 137.03 54.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.429 178.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.4 ' HB2' ' SD ' ' A' ' 86' ' ' MET . 20.9 t -96.67 116.54 29.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.791 0.329 . . . . 0.0 110.205 179.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.638 ' HG ' ' CE1' ' A' ' 38' ' ' PHE . 7.2 mp -70.86 165.71 22.65 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.031 177.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -59.95 -23.27 63.44 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -72.9 -14.71 61.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.717 0.294 . . . . 0.0 111.033 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.88 58.2 1.73 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.573 -176.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.422 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -144.94 114.56 5.02 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.778 -0.211 . . . . 0.0 110.473 -178.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 5.5 Cg_exo -78.21 101.27 1.45 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 123.125 2.55 . . . . 0.0 112.053 178.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -95.9 130.69 42.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.482 176.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.7 mt -93.4 113.22 27.82 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.693 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.512 ' CE2' ' HB ' ' A' ' 19' ' ' ILE . 44.2 m-85 -83.16 118.08 23.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.252 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -83.52 -26.2 30.37 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.789 -177.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -138.24 159.55 25.22 Favored Glycine 0 N--CA 1.442 -0.945 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.687 -178.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.492 HG13 ' HB2' ' A' ' 61' ' ' SER . 48.4 t -62.11 -31.68 52.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.939 0.4 . . . . 0.0 111.056 -177.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -61.33 -41.07 96.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.247 -178.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.33 -41.51 97.15 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.264 0.554 . . . . 0.0 110.206 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.607 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -72.18 -45.27 61.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.092 -179.147 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -60.74 -42.77 98.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.664 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.545 ' O ' ' HD2' ' A' ' 41' ' ' HIS . 20.7 t70 -60.95 -50.84 71.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.896 175.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.638 ' CE1' ' HG ' ' A' ' 21' ' ' LEU . 34.5 t80 -52.48 -43.03 64.75 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.229 178.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.2 mt -56.5 -45.64 80.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.685 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -77.04 -17.75 58.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.625 -176.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.545 ' HD2' ' O ' ' A' ' 37' ' ' ASP . 34.7 m-70 -84.51 -63.1 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.645 177.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -157.02 79.06 0.91 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.015 0.436 . . . . 0.0 111.337 -176.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.557 ' NE1' ' HB1' ' A' ' 45' ' ' ALA . 49.9 t-105 -89.27 113.82 57.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.981 174.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.502 ' HD2' ' CE3' ' A' ' 43' ' ' TRP . 83.0 Cg_exo -49.17 -37.72 39.46 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.802 3.001 . . . . 0.0 114.458 -177.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.557 ' HB1' ' NE1' ' A' ' 43' ' ' TRP . . . -82.66 85.72 6.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.466 0.65 . . . . 0.0 110.687 -178.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 46' ' ' ARG . 8.7 ptt180 -101.51 148.49 25.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.872 -177.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.24 -98.04 0.16 Allowed Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -152.35 -80.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.809 0.304 . . . . 0.0 111.167 174.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 39.5 ttt85 -68.13 -35.01 77.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.826 -171.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.68 -40.49 76.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.25 0.547 . . . . 0.0 110.236 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -70.85 -45.43 64.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.517 178.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -53.0 -56.83 13.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.405 178.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.481 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 8.7 tt0 -52.14 -47.36 65.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.409 -176.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.61 -47.86 75.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.567 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.8 mp -72.4 -37.85 68.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.316 -178.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.2 mmt85 -62.0 -40.04 94.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.86 0.362 . . . . 0.0 110.968 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 84.5 mt -64.97 -48.42 74.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.679 178.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 73.2 m -65.83 -34.66 78.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.252 -178.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -62.11 -41.38 98.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.91 0.385 . . . . 0.0 110.647 177.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.44 -35.2 60.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.817 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.492 ' HB2' HG13 ' A' ' 32' ' ' VAL . 47.2 m -64.64 -31.97 73.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.459 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 48.1 mt -70.63 -8.69 53.62 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.806 0.336 . . . . 0.0 111.79 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.2 mmm -107.29 -5.27 17.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.062 0.458 . . . . 0.0 110.523 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.78 19.38 58.07 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.615 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -75.63 -38.29 59.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.097 0.475 . . . . 0.0 110.662 178.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.2 t -107.33 121.08 59.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.096 -177.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.13 89.67 4.24 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -175.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.55 -100.64 0.04 OUTLIER Glycine 0 CA--C 1.521 0.409 0 N-CA-C 115.22 0.848 . . . . 0.0 115.22 166.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.529 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 42.8 tt0 -58.18 -26.96 63.41 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -173.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 61.8 mt -60.95 -45.99 97.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.889 0.376 . . . . 0.0 110.309 178.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.67 -37.0 79.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.996 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.529 ' HB3' ' HA ' ' A' ' 69' ' ' GLU . 21.6 ttt85 -59.3 -49.19 78.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.064 178.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.3 m -66.16 -41.68 90.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.895 0.379 . . . . 0.0 111.069 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.27 -33.06 74.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.024 0.44 . . . . 0.0 110.785 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.431 ' CE1' HD21 ' A' ' 39' ' ' LEU . 39.9 t80 -66.54 -35.81 81.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.806 177.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.545 HG13 HD22 ' A' ' 85' ' ' LEU . 79.3 t -61.07 -39.53 82.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.293 175.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.4 87.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.111 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.08 -38.35 66.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.117 0.484 . . . . 0.0 110.594 177.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.3 m -67.81 -16.8 64.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.208 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -61.79 -37.11 83.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.077 -178.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -60.86 -43.27 98.61 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.038 0.447 . . . . 0.0 111.094 -178.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.01 -1.17 57.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.904 -178.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 58.39 34.38 23.95 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.48 -177.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.438 ' SG ' HG22 ' A' ' 19' ' ' ILE . 47.2 t -88.45 32.26 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.695 0.759 . . . . 0.0 109.928 -179.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.545 HD22 HG13 ' A' ' 76' ' ' VAL . 90.2 mt -87.29 122.59 31.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.162 -176.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.4 ' SD ' ' HB2' ' A' ' 20' ' ' SER . 82.2 mtp . . . . . 0 C--N 1.314 -0.97 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.303 176.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.5 t0 . . . . . 0 CA--C 1.518 -0.259 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.545 HG12 HD23 ' A' ' 62' ' ' LEU . 5.4 p -96.89 126.53 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.542 -171.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.509 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 91.9 mttt -112.4 159.29 18.86 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.379 -178.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.48 135.29 33.55 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.451 0.643 . . . . 0.0 112.429 -174.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -71.86 -29.8 64.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.7 -1.137 . . . . 0.0 108.926 175.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.491 ' HB2' ' HD2' ' A' ' 72' ' ' ARG . 88.8 mttt -129.12 102.94 18.58 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 114.492 -1.231 . . . . 0.0 108.848 173.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.67 145.55 59.1 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.951 2.434 . . . . 0.0 112.784 -177.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.455 HG21 ' HG3' ' A' ' 72' ' ' ARG . 55.4 t -102.94 125.55 57.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.893 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.749 ' HB ' ' SD ' ' A' ' 86' ' ' MET . 7.3 m -112.18 109.82 19.74 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.046 0.451 . . . . 0.0 110.088 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.5 ' CG1' ' HE2' ' A' ' 29' ' ' PHE . 27.5 mm -106.64 123.32 61.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.409 -177.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 15.3 m -85.69 115.8 23.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.979 0.418 . . . . 0.0 110.323 177.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.471 HD23 ' CE1' ' A' ' 38' ' ' PHE . 20.6 mt -71.32 -178.69 2.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.848 179.175 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 47.5 tp60 -64.74 -31.45 72.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.406 -176.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -78.43 5.9 9.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.987 177.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.94 33.97 65.52 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.7 -178.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.57 105.02 56.66 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 120.677 0.275 . . . . 0.0 110.513 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.445 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 2.7 Cg_exo -76.53 112.33 3.44 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 123.094 2.529 . . . . 0.0 111.97 178.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.439 HH11 ' HD1' ' A' ' 38' ' ' PHE . 79.2 mtp180 -93.68 125.94 38.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.1 mt -88.64 107.9 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.973 0.416 . . . . 0.0 110.45 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.5 ' HE2' ' CG1' ' A' ' 19' ' ' ILE . 30.7 m-85 -90.8 119.1 30.74 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -104.27 -14.57 15.76 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 -177.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.509 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -128.57 149.09 18.23 Favored Glycine 0 N--CA 1.442 -0.926 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.126 177.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.459 HG13 ' HB2' ' A' ' 61' ' ' SER . 50.2 t -68.26 -28.72 41.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.907 0.384 . . . . 0.0 110.825 -177.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.437 ' HA ' HD11 ' A' ' 62' ' ' LEU . 66.5 t80 -65.57 -35.71 81.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.764 0.316 . . . . 0.0 110.263 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -64.53 -40.73 96.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.258 0.551 . . . . 0.0 110.08 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.563 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -67.62 -41.65 83.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.677 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.463 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 90.9 t80 -59.1 -45.55 90.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.37 176.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.57 -43.72 98.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.374 178.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.471 ' CE1' HD23 ' A' ' 21' ' ' LEU . 62.9 t80 -55.79 -45.28 78.24 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.687 179.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 89.4 mt -63.68 -19.07 64.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.191 -175.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -97.93 -31.67 12.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.697 0.284 . . . . 0.0 111.543 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -83.01 -39.75 20.86 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.81 -175.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -163.25 84.04 0.49 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.137 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.503 ' HB2' ' HA ' ' A' ' 39' ' ' LEU . 53.7 t-105 -117.4 109.44 42.11 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.085 174.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.89 -32.98 65.65 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.266 2.644 . . . . 0.0 114.068 -175.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.416 ' HB2' ' NE1' ' A' ' 43' ' ' TRP . . . -74.56 107.89 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.152 0.501 . . . . 0.0 110.76 -177.132 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 71.1 mtt-85 -101.35 179.56 4.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.822 -176.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 130.82 -18.27 5.12 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 -175.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 69.0 -53.04 0.58 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.953 0.901 . . . . 0.0 113.119 177.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 70.0 mtm-85 -61.73 -48.37 81.04 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.723 0.297 . . . . 0.0 111.12 -179.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.95 -30.26 68.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.293 0.568 . . . . 0.0 110.54 175.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.403 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 26.3 t-80 -68.63 -45.48 71.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.439 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -65.6 -35.06 79.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.226 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.461 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 34.7 tt0 -59.03 -51.81 68.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.411 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.41 91.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.756 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 97.2 mt -62.04 -44.29 97.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.741 177.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 45.7 ttm-85 -62.35 -41.14 98.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.592 -177.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 78.0 mt -60.02 -43.95 94.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.444 178.29 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.463 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 63.1 m -66.03 -42.5 89.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.723 178.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 55' ' ' LEU . 63.8 mtt180 -60.9 -44.52 97.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.27 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.74 -39.69 92.46 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.835 0.35 . . . . 0.0 110.986 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.459 ' HB2' HG13 ' A' ' 32' ' ' VAL . 16.9 m -63.35 -39.75 95.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.353 0.597 . . . . 0.0 109.982 177.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.545 HD23 HG12 ' A' ' 11' ' ' VAL . 51.8 mt -86.25 9.39 17.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.651 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 58.6 ttp -112.71 -54.86 2.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.278 -176.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -160.28 -66.18 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 119.149 -1.5 . . . . 0.0 114.65 -176.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -132.85 88.48 2.52 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -165.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.462 HG13 ' HB1' ' A' ' 71' ' ' ALA . 55.1 t -140.56 123.94 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.259 165.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.49 81.92 8.5 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 35.14 -91.5 0.01 OUTLIER Glycine 0 N--CA 1.469 0.855 0 N-CA-C 116.105 1.202 . . . . 0.0 116.105 167.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -51.54 -34.38 36.26 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.181 0.592 . . . . 0.0 112.213 -176.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 66.5 mt -59.65 -48.35 87.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.844 0.354 . . . . 0.0 110.441 178.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.462 ' HB1' HG13 ' A' ' 66' ' ' VAL . . . -59.58 -34.33 72.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.263 176.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.491 ' HD2' ' HB2' ' A' ' 15' ' ' LYS . 71.9 ttt-85 -63.79 -52.63 59.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.809 0.338 . . . . 0.0 110.586 -178.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.3 m -62.38 -38.67 90.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.062 0.458 . . . . 0.0 110.636 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.06 -34.86 79.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.718 177.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -68.57 -36.61 79.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.061 177.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 75.6 t -65.76 -37.77 80.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.038 0.447 . . . . 0.0 110.361 175.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.55 -30.18 70.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.776 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.75 -41.96 25.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.942 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.4 p -73.9 -10.15 59.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.256 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -62.11 -25.79 67.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.351 0.596 . . . . 0.0 109.486 175.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -70.4 -11.83 61.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.075 178.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.11 -9.54 57.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.836 0.35 . . . . 0.0 110.334 176.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 64.73 25.22 12.98 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.515 176.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 43.2 t -155.24 93.59 1.53 Allowed 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.12 0.486 . . . . 0.0 110.131 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.4 mt -96.58 141.82 29.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.345 178.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.749 ' SD ' ' HB ' ' A' ' 18' ' ' THR . 48.5 ttp . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.815 0.34 . . . . 0.0 110.918 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.6 mtp . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -70.78 107.41 3.97 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 174.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.7 m -76.84 156.99 5.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.02 -177.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -77.05 -9.31 58.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.38 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -86.12 -174.02 4.86 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.086 172.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 95.4 mmm -120.72 171.53 8.53 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.385 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 52.9 tp -88.44 -35.02 17.3 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 175.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 99.0 mt -80.04 -17.44 52.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.218 176.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.493 HD22 ' HG3' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -124.93 91.68 3.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.427 175.894 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -49.94 -46.24 51.95 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 124.106 0.879 . . . . 0.0 111.648 -174.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.765 HG13 ' HB ' ' A' ' 32' ' ' VAL . 4.1 p -121.45 111.99 33.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.527 0.68 . . . . 0.0 110.511 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -87.91 145.51 26.01 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.778 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -90.71 -176.91 4.85 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -175.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.404 ' C ' ' HD2' ' A' ' 16' ' ' PRO . 27.8 mm-40 -66.62 -28.7 68.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.217 178.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 14' ' ' GLU . 56.8 tttp 111.61 -55.93 0.0 OUTLIER Pre-proline 0 N--CA 1.48 1.038 0 C-N-CA 125.74 1.616 . . . . 0.0 112.94 175.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.404 ' HD2' ' C ' ' A' ' 14' ' ' GLU . 61.1 Cg_endo -73.47 57.47 3.55 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.749 1.633 . . . . 0.0 113.54 -177.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 45.0 t -112.74 107.31 22.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 177.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.554 ' HB ' ' SD ' ' A' ' 86' ' ' MET . 11.9 m -107.43 122.9 47.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.999 -174.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.6 mm -101.03 119.46 49.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.726 172.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 t -83.83 106.05 15.21 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.1 mt -87.76 126.02 34.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.417 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -62.13 -48.22 81.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.769 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -96.98 15.97 20.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.019 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -139.07 -116.14 1.36 Allowed Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.203 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -158.3 162.77 26.23 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -176.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.22 101.94 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.826 2.351 . . . . 0.0 111.867 172.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -96.85 112.29 24.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.487 -177.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.417 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 59.6 mt -92.66 119.73 40.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.157 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -91.6 153.25 19.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.612 -178.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -108.13 -25.0 11.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.144 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.454 ' HA3' ' OD1' ' A' ' 9' ' ' ASN . . . -137.11 155.23 22.69 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.478 -177.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.765 ' HB ' HG13 ' A' ' 11' ' ' VAL . 40.3 t -71.56 -26.28 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.156 0.503 . . . . 0.0 109.915 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -63.89 -35.97 82.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.284 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.493 ' HG3' HD22 ' A' ' 9' ' ' ASN . 45.6 mt-10 -65.35 -45.98 82.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.199 0.523 . . . . 0.0 109.799 177.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.502 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -63.54 -43.74 96.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.248 -178.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -60.01 -42.73 94.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.637 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -67.79 -42.66 81.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.115 0.483 . . . . 0.0 110.323 178.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -58.22 -39.52 79.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.386 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 88.7 mt -59.55 -24.66 63.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.026 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -97.84 -26.74 14.59 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.111 -177.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -76.56 -76.76 0.15 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.81 -176.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -136.04 68.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.12 0.486 . . . . 0.0 111.549 -173.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.1 t-105 -90.1 117.49 68.1 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 171.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -49.9 -71.56 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.765 2.977 . . . . 0.0 113.823 -171.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.18 106.38 15.8 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.0 mtt-85 -62.2 -78.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.69 -174.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.74 -98.49 0.56 Allowed Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.375 -0.917 . . . . 0.0 113.06 169.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.473 ' CG ' ' H ' ' A' ' 49' ' ' ARG . 15.5 t70 -166.93 -139.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -174.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.473 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 61.1 mtt85 -57.21 -35.15 69.3 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.56 -36.73 76.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -64.81 -43.62 92.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.806 175.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -65.49 -37.34 86.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.851 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -59.88 -38.13 81.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.72 177.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.95 -51.48 69.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.553 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.482 HD11 HD13 ' A' ' 39' ' ' LEU . 8.9 mp -63.92 -39.84 95.1 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.956 0.408 . . . . 0.0 110.855 177.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -58.33 -51.14 71.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.138 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.9 -33.85 74.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.414 -177.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 70.9 m -64.38 -36.04 82.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.056 0.455 . . . . 0.0 110.14 175.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -65.41 -41.2 93.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.291 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.25 -31.03 69.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.898 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.3 m -64.27 -31.03 72.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.634 177.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.663 HD23 HG11 ' A' ' 11' ' ' VAL . 92.1 mt -64.19 -26.26 68.44 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.769 178.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 62.7 mtt -83.25 -18.31 39.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.724 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.68 31.39 21.49 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.962 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -110.17 6.37 22.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 111.295 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 64.4 t -133.07 136.71 54.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -92.77 169.12 10.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.62 0.248 . . . . 0.0 110.807 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.13 -59.06 11.51 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.941 -0.572 . . . . 0.0 113.797 -173.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -69.0 -26.82 65.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.819 0.309 . . . . 0.0 110.942 -175.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 61.4 mt -62.79 -56.03 20.04 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 120.882 0.372 . . . . 0.0 110.374 177.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.92 85.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.295 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.47 ' O ' HG22 ' A' ' 76' ' ' VAL . 68.4 ttt180 -57.82 -50.5 73.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.328 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.9 m -61.32 -42.21 98.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.034 0.445 . . . . 0.0 110.765 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.33 -31.91 67.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -64.86 -36.53 84.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.687 177.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 72' ' ' ARG . 89.8 t -66.08 -37.08 78.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.254 176.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 80' ' ' ARG . . . -64.31 -36.96 85.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.783 177.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.63 -41.21 72.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.091 0.472 . . . . 0.0 110.37 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.3 t -65.26 -25.97 67.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.291 177.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.469 ' HB3' ' O ' ' A' ' 77' ' ' ALA . 47.2 ttt180 -62.95 -42.59 99.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.718 176.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -63.96 -38.94 92.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.163 0.506 . . . . 0.0 110.034 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.14 -13.4 60.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.332 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.6 m170 62.28 28.2 16.84 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.103 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.2 t -105.32 29.13 6.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.467 0.651 . . . . 0.0 109.487 -176.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.05 139.54 58.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.04 -175.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.554 ' SD ' ' HB ' ' A' ' 18' ' ' THR . 19.8 ttt -69.17 124.62 24.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.348 175.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -71.34 116.14 11.32 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -59.52 140.57 56.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.969 -173.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -115.67 166.8 11.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.924 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -118.47 132.16 56.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.276 178.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -84.21 132.79 34.62 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 55.76 72.03 1.11 Allowed Pre-proline 0 N--CA 1.465 0.307 0 O-C-N 123.799 0.687 . . . . 0.0 110.843 -174.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -87.16 -9.94 5.92 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.735 2.29 . . . . 0.0 113.221 -175.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -110.7 98.72 7.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.037 0.446 . . . . 0.0 110.775 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 34.3 p -112.49 -175.47 2.69 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.827 -178.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.5 tt -130.33 153.49 39.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.41 -38.63 55.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.756 0.312 . . . . 0.0 111.166 -175.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.4 p -82.18 102.68 11.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.09 0.471 . . . . 0.0 110.909 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -138.41 -79.11 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.058 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.818 -0.61 . . . . 0.0 109.738 178.824 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.0 mtp . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 120.888 0.375 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -82.26 75.83 9.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.194 0.521 . . . . 0.0 111.332 -178.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.2 m -93.5 73.73 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.926 0.869 . . . . 0.0 109.528 173.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -74.82 142.7 44.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.391 -172.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 m -73.53 102.87 3.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.57 174.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.547 ' H ' ' HE1' ' A' ' 33' ' ' TYR . 64.2 mtt -94.64 133.2 38.56 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.401 -178.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 85.7 mt -80.65 -24.27 39.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.39 -178.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 92.1 mt -79.19 97.11 6.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.217 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.423 HD21 ' N ' ' A' ' 9' ' ' ASN . 0.9 OUTLIER -105.12 124.41 49.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.498 179.642 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -58.37 -48.06 81.81 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.147 0.499 . . . . 0.0 110.493 175.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.0 t -114.16 112.47 40.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.728 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -89.14 142.66 27.45 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 171.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.46 ' CZ3' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -78.85 128.48 33.4 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.782 -179.46 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.06 -48.45 20.78 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -97.6 105.43 26.22 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.518 172.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.45 ' HB2' HG21 ' A' ' 28' ' ' ILE . 31.2 Cg_endo -62.43 150.28 87.92 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 123.13 2.553 . . . . 0.0 113.253 -171.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.525 HG21 ' HG3' ' A' ' 72' ' ' ARG . 43.5 t -103.56 105.91 19.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.953 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 m -95.67 108.38 20.66 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.246 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.57 HD11 ' HZ3' ' A' ' 43' ' ' TRP . 20.5 tt -101.25 132.17 47.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.3 p -101.93 119.7 39.21 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.055 0.455 . . . . 0.0 110.903 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.728 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . 10.4 mp -67.14 164.26 18.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.667 174.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.7 -16.96 64.25 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -170.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -92.89 11.68 26.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.044 0.45 . . . . 0.0 110.793 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.402 ' O ' ' HD3' ' A' ' 26' ' ' PRO . . . 77.37 45.82 10.8 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.053 -0.594 . . . . 0.0 111.93 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.728 ' HB1' ' HB2' ' A' ' 21' ' ' LEU . . . -111.74 97.48 37.51 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-O 120.666 0.269 . . . . 0.0 110.781 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 24' ' ' GLY . 4.9 Cg_exo -76.3 117.8 4.73 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 123.219 2.613 . . . . 0.0 112.104 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.529 HH11 ' HE1' ' A' ' 38' ' ' PHE . 99.3 mtt180 -115.08 117.55 30.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.047 176.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.45 HG21 ' HB2' ' A' ' 16' ' ' PRO . 62.2 mt -91.44 116.82 33.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.583 -176.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.463 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 33.3 m-85 -79.05 127.01 31.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.648 178.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -84.96 -41.92 15.43 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.979 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.41 161.53 21.51 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.804 -0.713 . . . . 0.0 111.88 -178.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.505 HG11 ' HB2' ' A' ' 61' ' ' SER . 78.5 t -62.87 -38.48 81.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.012 0.434 . . . . 0.0 111.343 -178.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.547 ' HE1' ' H ' ' A' ' 6' ' ' MET . 58.2 t80 -66.52 -33.68 76.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.188 -178.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -65.76 -36.29 83.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.373 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -67.26 -40.31 86.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.404 176.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -62.47 -42.04 99.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.508 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -59.73 -52.42 65.55 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.948 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.529 ' HE1' HH11 ' A' ' 27' ' ' ARG . 84.6 t80 -54.02 -42.07 68.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.471 -178.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.1 mt -61.95 -27.86 69.13 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -176.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -100.87 -27.55 13.26 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.259 -178.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -83.6 -48.13 10.55 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.735 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -139.49 77.86 1.64 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.993 0.425 . . . . 0.0 111.773 -174.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.57 ' HZ3' HD11 ' A' ' 19' ' ' ILE . 60.2 t-105 -111.39 107.31 57.09 Favored Pre-proline 0 C--N 1.318 -0.771 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 173.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -82.75 37.81 0.7 Allowed 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 123.178 2.585 . . . . 0.0 113.289 -173.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.25 -171.57 2.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.315 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -112.21 -122.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.042 175.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.19 -34.98 3.23 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.243 -0.98 . . . . 0.0 111.58 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.8 t70 58.73 -91.12 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.282 0.633 . . . . 0.0 111.319 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -64.05 -43.55 95.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.708 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.87 -32.16 73.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.84 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 47.3 t60 -70.9 -47.44 59.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.253 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -65.2 -39.28 92.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.894 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.598 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 35.6 tt0 -59.58 -49.01 79.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.641 176.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.489 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -57.74 -41.78 82.55 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.341 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.3 mt -64.08 -43.82 94.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.97 0.414 . . . . 0.0 110.499 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -64.12 -40.01 95.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.083 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 84.7 mt -56.21 -49.84 72.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.414 177.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 55.5 m -65.53 -41.3 93.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.534 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -61.44 -47.49 85.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.717 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.3 -27.93 64.78 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.385 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.505 ' HB2' HG11 ' A' ' 32' ' ' VAL . 61.8 m -70.78 -36.09 72.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.378 177.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.7 mt -68.96 -27.57 65.85 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.437 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 87.2 mtp -72.1 -33.13 67.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.087 175.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.9 20.27 10.87 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.559 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -98.15 -23.63 15.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 122.613 -0.345 . . . . 0.0 111.334 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.474 HG11 ' HB3' ' A' ' 71' ' ' ALA . 60.7 t -101.79 116.84 46.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 176.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.87 65.62 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -175.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.04 -84.12 0.07 OUTLIER Glycine 0 CA--C 1.522 0.524 0 N-CA-C 115.04 0.776 . . . . 0.0 115.04 169.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -66.94 -25.71 66.48 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -170.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.6 mt -59.42 -41.36 84.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.005 0.431 . . . . 0.0 110.205 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.474 ' HB3' HG11 ' A' ' 66' ' ' VAL . . . -72.09 -36.82 69.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.336 177.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.525 ' HG3' HG21 ' A' ' 17' ' ' VAL . 29.0 ttt180 -58.39 -48.3 81.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.425 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.9 m -66.05 -43.67 86.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.064 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.1 -36.01 77.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.244 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -57.86 -49.83 75.36 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.033 0.444 . . . . 0.0 110.147 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 97.0 t -63.73 -41.37 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.561 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.33 -44.03 88.49 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.359 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.6 -34.01 75.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.048 0.452 . . . . 0.0 111.012 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.0 m -76.53 -9.95 59.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.701 -176.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.727 ' HG2' HD12 ' A' ' 85' ' ' LEU . 35.5 mtp180 -64.66 -31.14 72.22 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.779 0.323 . . . . 0.0 110.749 -178.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -67.45 -25.66 66.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.69 -15.98 61.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.674 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 38.9 m80 62.91 37.19 12.22 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.289 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 35.9 t -150.21 92.66 1.9 Allowed 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.619 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.727 HD12 ' HG2' ' A' ' 80' ' ' ARG . 94.4 mt -122.52 178.06 5.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.967 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 91.9 mmm -76.89 -25.73 53.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.423 176.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -74.1 99.05 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -86.17 -162.37 0.74 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.679 178.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -73.75 76.12 1.57 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.376 0.608 . . . . 0.0 111.276 -176.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -140.58 68.39 1.35 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.123 -0.944 . . . . 0.0 108.989 174.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -91.61 96.01 10.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.53 -174.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -122.42 97.41 44.96 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.12 177.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -63.81 -60.75 0.14 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.232 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -94.72 173.69 7.48 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.294 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.6 p -99.0 122.24 42.0 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.195 0.522 . . . . 0.0 112.175 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.43 ' C ' ' H ' ' A' ' 98' ' ' SER . 3.8 mp -109.35 147.43 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 174.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.76 16.53 0.11 Allowed 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -175.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.43 ' H ' ' C ' ' A' ' 96' ' ' ILE . 34.9 p -87.55 11.99 13.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.808 0.337 . . . . 0.0 110.421 178.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -57.67 111.01 2.66 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.589 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.8 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.264 -0.874 . . . . 0.0 108.838 -178.193 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ttt . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -73.28 110.35 7.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.076 0.465 . . . . 0.0 111.227 -177.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.4 m -92.67 144.89 8.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.395 172.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -61.74 -42.89 99.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.951 0.405 . . . . 0.0 111.096 -176.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 t -123.75 126.67 46.92 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.173 -0.676 . . . . 0.0 109.173 176.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 87.7 mtp -96.98 145.61 25.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.848 -176.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.8 tp -72.19 -36.74 69.31 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.769 HD22 ' HA ' ' A' ' 63' ' ' MET . 77.9 mt -85.66 120.32 26.96 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 174.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -102.32 163.86 12.0 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -173.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -69.28 100.9 1.39 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.544 175.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.2 t -89.43 104.47 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-O 121.275 0.56 . . . . 0.0 109.967 -175.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.525 ' HD3' ' HA3' ' A' ' 31' ' ' GLY . 68.9 mmtt -89.3 157.69 18.11 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.31 176.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -169.5 2.57 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.211 178.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.04 -57.45 10.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.697 174.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.55 -59.85 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.868 175.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -91.16 129.6 1.31 Allowed 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 121.881 1.72 . . . . 0.0 114.189 -171.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.473 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 60.5 t -141.2 89.19 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 166.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 m -86.75 106.61 17.79 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -171.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.401 ' CG1' ' HE2' ' A' ' 29' ' ' PHE . 35.6 mm -113.02 104.63 17.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.133 174.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.697 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 55.8 m -80.83 101.02 9.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.037 0.446 . . . . 0.0 110.77 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.453 HD23 ' CZ ' ' A' ' 38' ' ' PHE . 81.8 mt -71.5 145.02 49.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.886 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -60.01 -18.46 46.17 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.307 0.575 . . . . 0.0 110.52 175.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -67.16 -12.88 61.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.614 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.46 44.19 3.52 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.089 -0.577 . . . . 0.0 112.225 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -154.45 110.44 2.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.712 0.292 . . . . 0.0 111.32 -178.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.697 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 4.4 Cg_exo -77.8 96.28 1.09 Allowed 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 123.038 2.492 . . . . 0.0 111.073 171.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -83.68 117.84 23.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.53 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.473 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 67.0 mt -97.4 105.81 17.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.075 178.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.401 ' HE2' ' CG1' ' A' ' 19' ' ' ILE . 23.6 m-85 -84.65 145.58 27.92 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -117.85 -5.65 11.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.074 0.464 . . . . 0.0 110.959 -178.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.525 ' HA3' ' HD3' ' A' ' 12' ' ' LYS . . . -135.28 157.28 23.06 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 120.825 -0.703 . . . . 0.0 111.922 178.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.526 HG11 ' HB2' ' A' ' 61' ' ' SER . 47.0 t -72.67 -32.1 39.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.974 0.416 . . . . 0.0 111.038 -176.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -67.11 -36.35 81.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.518 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.25 -41.01 98.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.643 179.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.582 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -65.86 -43.42 88.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.969 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -61.92 -44.26 97.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.63 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.8 -41.35 83.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.308 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.453 ' CZ ' HD23 ' A' ' 21' ' ' LEU . 26.1 t80 -58.18 -39.85 79.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.68 178.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 94.2 mt -60.63 -27.67 67.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.941 -176.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -92.45 -7.98 46.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.834 0.349 . . . . 0.0 110.851 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -98.92 -84.6 0.4 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.886 -176.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -117.36 37.6 3.83 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -168.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -66.58 110.89 5.54 Favored Pre-proline 0 CA--C 1.533 0.316 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 172.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -85.46 29.76 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.248 2.632 . . . . 0.0 113.834 -168.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -158.01 -174.76 4.99 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -90.75 -167.82 1.92 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 175.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.545 ' HA2' ' OE1' ' A' ' 81' ' ' GLN . . . 172.49 -47.58 0.17 Allowed Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.575 176.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.444 ' OD1' ' HG3' ' A' ' 49' ' ' ARG . 9.5 t70 55.89 -90.45 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.443 0.697 . . . . 0.0 111.517 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.444 ' HG3' ' OD1' ' A' ' 48' ' ' ASP . 99.9 mtt180 -87.82 -30.4 20.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.874 -178.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.12 -29.12 63.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.713 0.768 . . . . 0.0 109.033 172.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.498 ' HB2' ' HA3' ' A' ' 47' ' ' GLY . 20.4 t60 -71.5 -41.1 69.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.238 175.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -61.2 -40.52 94.26 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.493 174.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.596 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 35.8 tt0 -54.26 -49.12 70.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.113 176.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.493 ' HA ' HD11 ' A' ' 57' ' ' LEU . . . -64.08 -43.03 96.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.246 179.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.25 -42.9 96.29 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.108 0.48 . . . . 0.0 110.584 177.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -66.38 -39.83 89.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.766 -177.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 79.4 mt -56.15 -52.41 64.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.479 176.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 37.5 m -63.78 -40.01 95.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.589 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -63.63 -51.17 66.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.734 -178.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.25 -32.09 72.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.406 -177.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.526 ' HB2' HG11 ' A' ' 32' ' ' VAL . 51.0 m -66.53 -41.82 88.18 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 176.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 72.2 mt -67.4 -26.26 66.36 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.901 0.381 . . . . 0.0 110.658 176.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.769 ' HA ' HD22 ' A' ' 8' ' ' LEU . 90.7 mtp -78.81 -8.47 58.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.679 175.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.28 20.84 59.77 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.607 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -93.49 -53.39 4.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.886 0.374 . . . . 0.0 110.482 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.8 t -84.13 133.04 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.195 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.35 26.91 0.52 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -175.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.7 -54.09 4.9 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.735 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -58.35 -52.44 65.59 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.806 0.336 . . . . 0.0 111.162 -176.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 59.0 mt -55.6 -35.94 40.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.53 -36.34 82.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.977 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.446 ' O ' HG21 ' A' ' 76' ' ' VAL . 27.9 mtp-105 -64.9 -54.36 32.0 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 120.806 0.336 . . . . 0.0 110.685 -178.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.7 m -56.4 -47.34 79.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.726 -176.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.25 -30.89 65.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.143 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -65.55 -43.38 90.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.015 0.435 . . . . 0.0 109.958 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.446 HG21 ' O ' ' A' ' 72' ' ' ARG . 59.4 t -66.91 -29.65 47.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.2 177.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.46 -37.06 77.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.077 0.465 . . . . 0.0 110.677 177.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.12 -29.6 61.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.71 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.7 m -71.12 -2.89 17.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.852 -178.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.667 ' HG2' HD11 ' A' ' 85' ' ' LEU . 97.1 mtt180 -65.66 -32.14 73.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.606 0.241 . . . . 0.0 110.604 178.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.545 ' OE1' ' HA2' ' A' ' 47' ' ' GLY . 97.0 mt-30 -69.01 -30.27 68.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.972 0.415 . . . . 0.0 110.706 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.32 -17.84 41.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.448 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 66.84 16.72 10.44 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.139 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 79.9 m -85.69 34.89 0.6 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.381 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.667 HD11 ' HG2' ' A' ' 80' ' ' ARG . 64.6 mt -71.04 117.38 12.47 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.379 0.609 . . . . 0.0 111.788 -175.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 83.1 mmm -136.83 138.27 40.62 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.348 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -95.14 130.69 41.75 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 170.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -65.05 172.5 2.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.522 0.677 . . . . 0.0 112.156 -170.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -87.47 19.26 3.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.504 -172.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.47 -32.77 60.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.185 0.517 . . . . 0.0 109.744 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -130.32 -155.99 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.113 175.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 70.72 93.23 0.05 OUTLIER Pre-proline 0 N--CA 1.464 0.246 0 CA-C-O 121.295 0.569 . . . . 0.0 111.417 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -77.76 -36.44 1.16 Allowed 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.622 2.215 . . . . 0.0 112.365 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -133.45 151.7 51.82 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.0 m -69.12 -18.13 63.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.547 0.689 . . . . 0.0 109.982 176.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 37.8 mt -68.0 -23.68 29.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.911 175.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.49 172.12 6.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.479 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.3 m -151.55 177.01 10.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.918 177.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -66.6 -26.72 72.93 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.064 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.8 t . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.547 -0.74 . . . . 0.0 109.503 177.516 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.6 mtt . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -111.18 120.54 42.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.518 -175.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.5 p -111.57 102.62 14.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.396 0.617 . . . . 0.0 110.223 176.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -83.51 109.68 17.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.802 178.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.8 p -92.1 111.27 22.76 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.539 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 96.3 mmm -72.0 113.63 9.24 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.6 mt -66.21 138.29 57.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.71 -178.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.7 mt -82.99 146.14 28.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.713 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -109.16 163.56 13.24 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -129.36 134.97 48.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.989 0.423 . . . . 0.0 110.943 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.666 HG13 HD21 ' A' ' 62' ' ' LEU . 7.3 p -143.39 132.07 19.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.746 175.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.53 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 69.5 mmtt -98.38 167.46 10.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.668 -177.124 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -100.74 137.75 38.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.19 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -75.28 -32.51 61.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.14 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -125.53 104.36 27.99 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.133 175.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -49.19 140.21 25.98 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.656 2.904 . . . . 0.0 113.225 -175.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 50.9 t -104.98 117.52 50.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.476 -178.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.557 ' O ' ' HB2' ' A' ' 86' ' ' MET . 4.8 m -94.88 112.2 23.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.624 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.586 HD11 ' HZ3' ' A' ' 43' ' ' TRP . 16.6 tt -94.03 124.3 46.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.473 ' HB2' ' CG ' ' A' ' 86' ' ' MET . 3.6 t -93.59 100.91 13.08 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.121 0.486 . . . . 0.0 110.077 -177.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.3 mt -78.27 144.01 36.53 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.853 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.077 -172.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -75.2 -1.16 22.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.907 0.384 . . . . 0.0 110.886 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.85 35.39 7.23 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.119 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.21 101.0 49.96 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-O 120.67 0.271 . . . . 0.0 110.826 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -78.69 97.36 1.13 Allowed 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 123.031 2.487 . . . . 0.0 111.002 174.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.716 HH11 ' HE1' ' A' ' 29' ' ' PHE . 18.2 ttt180 -88.86 111.77 22.46 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -178.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.8 mt -87.87 110.04 20.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.586 -177.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.716 ' HE1' HH11 ' A' ' 27' ' ' ARG . 51.4 m-85 -81.68 118.44 22.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.312 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -89.87 -19.8 24.17 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.685 178.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.53 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -139.42 155.14 23.93 Favored Glycine 0 N--CA 1.44 -1.043 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.944 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.482 HG12 ' HB2' ' A' ' 61' ' ' SER . 18.7 t -68.56 -30.29 46.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.974 0.416 . . . . 0.0 110.605 -176.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -65.23 -37.87 88.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.592 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -62.37 -38.03 88.02 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.068 0.461 . . . . 0.0 110.626 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.585 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -65.23 -48.0 74.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.117 177.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.483 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 80.8 t80 -58.04 -48.37 80.31 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.624 176.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.89 -50.41 73.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.943 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.479 ' HB2' ' NH1' ' A' ' 27' ' ' ARG . 66.8 t80 -59.18 -43.62 92.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.584 -177.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 91.7 mt -58.89 -36.52 74.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.677 -177.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -94.09 -12.5 28.35 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 121.091 -0.243 . . . . 0.0 111.496 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -80.06 -61.7 1.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.015 0.436 . . . . 0.0 110.043 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.403 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 42.7 tt0 -157.63 98.98 1.7 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.946 176.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.586 ' HZ3' HD11 ' A' ' 19' ' ' ILE . 63.4 t-105 -98.7 95.91 3.47 Favored Pre-proline 0 C--N 1.314 -0.942 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.006 173.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 42' ' ' GLU . 73.7 Cg_endo -76.84 -18.04 15.21 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.727 2.285 . . . . 0.0 112.663 -174.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.42 -166.0 1.43 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.444 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -133.65 172.71 12.39 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.27 -30.7 0.3 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.077 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.446 ' OD2' ' HG3' ' A' ' 49' ' ' ARG . 24.8 t70 71.58 -102.2 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 122.755 0.422 . . . . 0.0 110.371 173.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.446 ' HG3' ' OD2' ' A' ' 48' ' ' ASP . 86.2 mtm180 -77.07 -21.86 53.74 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.57 177.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.25 -33.53 75.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.428 0.632 . . . . 0.0 109.344 173.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -66.53 -43.64 84.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.817 174.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -66.05 -42.7 89.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.381 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -56.2 -44.07 79.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.886 177.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.05 -49.82 75.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.574 177.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.418 HD21 ' HB2' ' A' ' 39' ' ' LEU . 57.8 mt -59.08 -51.35 70.41 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.302 178.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -55.5 -47.66 75.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.196 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.2 mt -68.82 -37.67 79.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.237 -178.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.483 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 87.5 m -61.03 -45.15 95.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.667 0.27 . . . . 0.0 110.848 177.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.2 ttp85 -70.33 -34.82 73.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.707 0.289 . . . . 0.0 110.712 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.65 -28.62 67.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.92 0.39 . . . . 0.0 110.912 177.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.482 ' HB2' HG12 ' A' ' 32' ' ' VAL . 38.1 m -70.35 -36.0 73.91 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 174.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.666 HD21 HG13 ' A' ' 11' ' ' VAL . 90.0 mt -66.59 -29.53 69.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.056 176.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 84.9 mtp -73.51 -14.0 61.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.551 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.01 13.12 64.83 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.398 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -91.68 -49.96 6.01 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -178.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.0 t -84.19 128.53 38.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.501 -177.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.41 156.59 35.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.428 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.3 -42.18 81.87 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.777 -0.647 . . . . 0.0 113.313 -175.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -64.36 -48.93 73.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.639 0.257 . . . . 0.0 110.875 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.0 mt -56.16 -48.6 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.751 -178.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.85 -40.73 96.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.153 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.497 ' O ' HG23 ' A' ' 76' ' ' VAL . 10.4 ttt180 -67.99 -52.47 35.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.228 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.9 m -59.04 -39.06 80.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.883 0.373 . . . . 0.0 111.262 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.57 -32.32 71.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.966 178.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -72.41 -30.67 64.85 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 178.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 72' ' ' ARG . 99.5 t -62.3 -42.38 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.066 174.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.17 -37.36 85.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.544 176.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.18 -46.44 73.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.203 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.3 p -70.42 -23.09 62.68 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.926 0.393 . . . . 0.0 110.819 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -61.88 -45.03 95.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.07 174.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -77.75 -25.0 48.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.095 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.56 -58.09 7.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.414 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -173.52 -55.36 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.029 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 46.1 t -155.04 99.35 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.229 0.537 . . . . 0.0 110.678 -174.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.568 HD22 ' H ' ' A' ' 85' ' ' LEU . 2.3 pt? -64.28 143.08 58.16 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.859 172.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.557 ' HB2' ' O ' ' A' ' 18' ' ' THR . 95.2 mmm -129.5 171.15 12.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.979 0.419 . . . . 0.0 110.878 -179.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -111.39 -172.59 2.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.276 -177.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.472 ' HB3' HH12 ' A' ' 72' ' ' ARG . 14.3 p-10 -102.14 132.06 48.26 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 172.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.499 ' HG2' ' H ' ' A' ' 91' ' ' GLU . 80.0 tttt -77.0 132.83 39.18 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.709 -173.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.31 -20.02 65.98 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.125 0.488 . . . . 0.0 110.581 178.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.499 ' H ' ' HG2' ' A' ' 89' ' ' LYS . 35.5 tt0 -81.04 78.04 7.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.642 176.057 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.741 ' H ' ' HD2' ' A' ' 93' ' ' PRO . . . -128.05 -51.79 0.03 OUTLIER Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.084 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.741 ' HD2' ' H ' ' A' ' 92' ' ' ALA . 30.2 Cg_endo -63.83 160.94 34.71 Favored 'Trans proline' 0 C--N 1.357 1.006 0 C-N-CA 121.806 1.671 . . . . 0.0 111.396 174.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -66.73 -40.89 88.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.924 0.392 . . . . 0.0 110.017 -176.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -119.07 150.71 39.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.993 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 69.2 mt -99.2 118.15 45.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.81 -48.75 77.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.421 -176.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.3 m -90.51 90.42 8.0 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.028 0.442 . . . . 0.0 110.176 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 140.96 -153.94 24.12 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.56 -177.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.5 m . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.68 -0.676 . . . . 0.0 109.555 177.834 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.5 ttp . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.861 0.362 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -73.43 97.11 2.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.311 0.577 . . . . 0.0 111.581 -176.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.4 m -116.47 154.43 18.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.984 175.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 66.62 98.54 0.05 OUTLIER 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.351 0.596 . . . . 0.0 110.583 -178.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.4 m -62.15 137.93 58.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.233 -174.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 77.6 mtp -78.01 -27.77 48.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.361 173.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.2 mt -98.48 -157.39 0.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.311 -0.859 . . . . 0.0 108.998 173.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.4 mt -89.91 -58.75 2.4 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 174.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -126.68 130.43 50.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.53 -0.759 . . . . 0.0 108.955 175.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -90.58 124.27 34.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.707 0.289 . . . . 0.0 110.785 -175.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.669 HG12 HD21 ' A' ' 62' ' ' LEU . 7.2 p -126.57 119.71 54.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.542 0.687 . . . . 0.0 110.098 174.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.452 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 96.1 mttt -125.02 165.19 18.61 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.24 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.63 143.79 27.27 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -172.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -80.92 -25.12 37.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.125 172.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -126.54 106.04 23.78 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.038 176.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.88 139.73 84.59 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 123.074 2.516 . . . . 0.0 112.548 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.6 t -96.75 119.22 44.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.835 0.35 . . . . 0.0 110.785 -176.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.3 m -98.16 108.31 20.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.997 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.425 ' CG1' ' HE2' ' A' ' 29' ' ' PHE . 19.7 mm -98.3 114.37 35.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.085 178.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 p -81.36 106.69 13.52 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.306 177.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.9 mt -70.03 167.43 17.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.564 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -65.6 -13.39 58.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.331 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -84.51 6.43 23.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.642 177.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.57 32.83 67.42 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.894 -0.669 . . . . 0.0 111.594 -178.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -119.04 119.0 32.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.519 0.2 . . . . 0.0 111.05 -176.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 6.1 Cg_exo -75.22 108.24 2.66 Favored 'Trans proline' 0 N--CA 1.463 -0.265 0 C-N-CA 123.163 2.575 . . . . 0.0 111.891 176.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -102.85 112.06 24.68 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.3 mt -94.81 128.23 46.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.563 -172.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.425 ' HE2' ' CG1' ' A' ' 19' ' ' ILE . 36.4 m-85 -106.69 141.38 38.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.629 176.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.57 -21.14 13.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.062 0.458 . . . . 0.0 110.667 -177.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -127.94 157.46 21.1 Favored Glycine 0 N--CA 1.442 -0.924 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.667 ' HB ' HG11 ' A' ' 11' ' ' VAL . 54.5 t -68.6 -30.55 47.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.752 0.31 . . . . 0.0 110.861 -177.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -62.42 -41.04 98.41 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.829 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -59.48 -42.18 91.51 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.248 0.547 . . . . 0.0 110.1 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.531 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -65.65 -47.6 74.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.708 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -60.84 -47.93 84.12 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.938 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -58.3 -47.06 84.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.205 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -55.91 -47.46 77.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.196 178.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 95.5 mt -60.2 -41.25 92.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.445 -178.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -79.81 -26.92 40.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.337 -176.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -79.8 -63.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.115 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -150.82 80.82 1.33 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.313 0.578 . . . . 0.0 111.246 -176.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.512 ' HB2' ' HA ' ' A' ' 39' ' ' LEU . 32.1 t-105 -93.41 112.68 57.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.149 172.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 43' ' ' TRP . 17.8 Cg_exo -69.07 22.99 0.15 Allowed 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.725 2.95 . . . . 0.0 114.466 -175.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.411 ' HB1' ' NE1' ' A' ' 43' ' ' TRP . . . -135.1 115.66 13.68 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 44.4 mtm-85 -107.35 157.33 18.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.416 0.627 . . . . 0.0 111.642 -174.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.446 ' O ' ' HB3' ' A' ' 48' ' ' ASP . . . 170.25 -98.59 0.14 Allowed Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 175.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.446 ' HB3' ' O ' ' A' ' 47' ' ' GLY . 11.9 p-10 175.12 -49.81 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 122.804 0.442 . . . . 0.0 109.876 174.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.557 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 68.8 mtm-85 -62.26 -66.59 0.52 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.705 -178.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.56 74.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.858 0.361 . . . . 0.0 111.277 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.41 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 10.5 t60 -65.0 -44.84 87.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.995 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -67.11 -46.62 73.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.041 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' A' ' 49' ' ' ARG . 96.4 mt-30 -54.67 -51.74 64.53 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 -178.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.81 -41.5 86.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.49 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 51' ' ' HIS . 89.3 mt -66.55 -45.04 80.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.081 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -65.74 -35.97 82.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.678 -177.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 93.6 mt -60.35 -49.23 78.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.678 177.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 44.9 m -67.14 -30.16 70.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.097 0.475 . . . . 0.0 110.743 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.9 ttt85 -70.98 -39.29 72.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.469 176.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.53 -38.4 89.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.425 ' OG ' HG11 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -64.64 -34.81 79.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.557 0.218 . . . . 0.0 111.128 176.807 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.669 HD21 HG12 ' A' ' 11' ' ' VAL . 47.7 mt -67.95 -19.13 64.93 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.109 0.481 . . . . 0.0 110.743 176.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 87.4 mtp -95.72 3.67 53.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.329 178.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.88 28.05 65.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.187 -0.53 . . . . 0.0 112.359 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -98.31 -58.37 1.99 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.137 0.494 . . . . 0.0 109.978 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.6 t -87.52 129.69 38.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.316 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -115.83 116.69 28.45 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -174.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 48.48 -102.88 0.06 OUTLIER Glycine 0 C--N 1.334 0.446 0 CA-C-N 115.264 -0.88 . . . . 0.0 115.269 167.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.43 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 7.6 mm-40 -57.61 -31.98 66.76 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -174.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 59.3 mt -60.53 -47.44 92.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.141 0.496 . . . . 0.0 110.071 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 75' ' ' PHE . . . -70.9 -36.62 72.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.46 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.43 ' HB3' ' HA ' ' A' ' 69' ' ' GLU . 7.6 tpp85 -58.97 -54.36 48.05 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.981 178.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 m -67.93 -35.83 79.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.122 0.487 . . . . 0.0 111.079 -176.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.97 -34.43 66.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.287 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.454 ' CE2' HD13 ' A' ' 39' ' ' LEU . 11.0 t80 -62.89 -40.95 99.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.125 0.488 . . . . 0.0 110.004 179.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 89.4 t -65.54 -37.68 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.525 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.9 -37.4 87.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.2 -40.07 68.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.141 0.496 . . . . 0.0 110.789 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.5 m -75.47 -10.41 59.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.874 -178.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -64.25 -25.84 68.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.121 -178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -65.45 -26.93 68.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.936 0.398 . . . . 0.0 110.69 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.27 -22.47 25.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.969 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 63.04 24.67 14.63 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.05 177.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 38.3 t -119.25 74.86 1.01 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 84.9 mt -108.21 164.66 12.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.557 -174.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 8.5 mmm -132.22 165.44 24.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.145 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -93.53 139.28 30.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.246 0.546 . . . . 0.0 111.846 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -76.65 -24.51 53.29 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 122.182 0.992 . . . . 0.0 108.67 170.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -63.0 -47.83 81.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 113.846 -1.524 . . . . 0.0 112.557 -177.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -120.73 125.6 48.03 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -169.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.708 ' HG2' ' HD3' ' A' ' 93' ' ' PRO . 39.6 tt0 -94.33 136.61 34.43 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 171.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -136.52 69.5 60.53 Favored Pre-proline 0 C--N 1.327 -0.385 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -174.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.708 ' HD3' ' HG2' ' A' ' 91' ' ' GLU . 12.9 Cg_endo -95.1 -75.83 0.0 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 122.951 2.434 . . . . 0.0 110.637 166.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -162.12 -49.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 170.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.2 m -105.22 148.03 27.38 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 172.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.9 mm -95.99 133.94 35.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 120.71 0.291 . . . . 0.0 111.017 -172.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.72 87.4 5.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.062 0.458 . . . . 0.0 110.44 175.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.8 p -85.54 114.91 22.91 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.668 -179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -170.75 89.77 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.154 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.42 -0.8 . . . . 0.0 110.11 -179.423 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 121.022 0.439 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' A' ' 4' ' ' GLN . 3.2 mp0 -117.93 177.62 4.71 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -178.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 82.0 t -67.54 -47.51 80.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 171.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.476 ' O ' ' HB2' ' A' ' 2' ' ' GLU . 97.6 mt-30 -96.98 -167.34 1.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.397 -0.82 . . . . 0.0 108.92 171.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 p -124.65 119.97 30.52 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.197 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 66.5 mtm -75.59 152.81 37.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.974 175.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.9 mt -90.4 -20.61 22.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.006 0.431 . . . . 0.0 110.351 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.6 mt -76.07 105.14 6.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.361 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -83.09 126.64 32.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.448 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -74.08 93.17 2.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.311 0.577 . . . . 0.0 110.1 176.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.0 t -99.28 93.87 3.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.715 177.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -83.41 159.23 21.84 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.583 178.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -100.03 125.84 46.15 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 121.325 0.583 . . . . 0.0 111.257 -175.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -89.29 -19.43 25.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.265 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -128.28 88.53 52.4 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.545 173.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.41 ' HB3' ' O ' ' A' ' 29' ' ' PHE . 17.1 Cg_exo -67.54 171.15 12.32 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 123.41 2.74 . . . . 0.0 113.686 -172.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.9 t -122.28 136.59 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.674 177.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.47 ' HG1' ' HA ' ' A' ' 88' ' ' ASP . 7.3 m -96.92 104.55 16.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.27 -177.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.8 mm -100.4 117.06 45.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 t -89.05 122.5 32.45 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.1 mt -87.11 169.56 12.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.056 -177.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -56.84 -38.88 73.28 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.526 -171.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -70.3 -17.34 63.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.862 0.363 . . . . 0.0 111.487 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.35 38.4 3.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.802 -177.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.3 114.49 40.7 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-O 120.623 0.249 . . . . 0.0 110.643 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -75.32 105.04 2.01 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.959 2.439 . . . . 0.0 111.755 177.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.2 tpt85 -88.67 104.97 17.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.947 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.1 mt -86.34 114.58 26.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.421 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.41 ' O ' ' HB3' ' A' ' 16' ' ' PRO . 88.8 m-85 -83.5 117.76 23.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.214 0.531 . . . . 0.0 111.021 -178.104 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -86.99 -5.28 59.14 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.056 -175.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -163.04 158.65 31.02 Favored Glycine 0 N--CA 1.443 -0.86 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.721 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.494 HG11 ' HB3' ' A' ' 61' ' ' SER . 24.9 t -67.51 -28.2 41.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.22 0.534 . . . . 0.0 109.898 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.495 ' HA ' HD13 ' A' ' 62' ' ' LEU . 53.6 t80 -59.98 -40.2 88.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.415 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -65.97 -39.21 90.2 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.527 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.552 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -65.36 -48.91 71.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.803 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.458 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 67.1 t80 -58.87 -41.15 86.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.552 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -61.54 -55.26 32.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.554 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -52.51 -49.64 64.4 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.525 -0.762 . . . . 0.0 112.199 -176.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 65.6 mt -57.5 -25.97 60.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.212 -174.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -82.85 -57.84 3.14 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -175.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -76.26 -36.83 58.27 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.539 -0.465 . . . . 0.0 112.095 -174.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.443 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 19.7 tt0 -147.14 76.07 1.4 Allowed 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.498 -0.881 . . . . 0.0 112.228 -176.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -98.01 98.18 5.2 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 165.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.443 ' HD3' ' O ' ' A' ' 42' ' ' GLU . 21.1 Cg_exo -66.58 -16.89 52.18 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.034 2.489 . . . . 0.0 113.459 -173.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.76 174.63 7.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.984 0.421 . . . . 0.0 111.183 -178.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.3 mtm180 -129.7 -173.86 3.14 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.899 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 133.9 -18.38 4.28 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.888 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 69.39 -76.44 0.06 Allowed 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.192 0.597 . . . . 0.0 111.068 175.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.9 mtm-85 -64.22 -28.97 70.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.804 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.91 93.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.1 0.476 . . . . 0.0 110.409 176.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -74.37 -37.87 63.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.399 177.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -56.1 -57.71 11.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.143 175.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.518 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 29.6 tt0 -61.03 -41.25 96.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.889 -178.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.16 -48.88 75.44 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.356 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.81 -45.21 87.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.905 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -55.96 -47.28 77.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.124 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 60.8 mt -62.61 -50.93 69.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.212 -178.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.458 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 60.8 m -64.0 -35.85 82.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.975 -178.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -63.01 -51.66 65.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.673 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.45 -34.14 76.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.285 -178.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.915 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 23.2 t -63.27 -33.69 76.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.15 -178.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.495 HD13 ' HA ' ' A' ' 33' ' ' TYR . 62.8 mt -96.32 2.57 52.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.593 -176.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 86.8 mtp -130.22 -49.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -173.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -150.25 70.08 0.31 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 119.443 -1.36 . . . . 0.0 114.581 -166.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.8 t70 73.41 85.98 0.11 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 164.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.915 ' HB ' ' HA ' ' A' ' 61' ' ' SER . 24.2 t -138.76 126.31 27.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.631 165.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.43 137.29 52.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.345 177.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.99 -45.62 80.65 Favored Glycine 0 N--CA 1.452 -0.252 0 CA-C-N 115.961 -0.563 . . . . 0.0 113.152 -175.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.42 ' O ' ' HB3' ' A' ' 72' ' ' ARG . 32.0 tt0 -71.16 -33.95 70.51 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 122.632 -0.334 . . . . 0.0 110.807 -177.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 62.3 mt -67.0 -45.0 88.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.34 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.405 ' HB3' ' CG1' ' A' ' 66' ' ' VAL . . . -53.18 -39.75 63.87 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.097 174.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.443 HH12 ' CG ' ' A' ' 88' ' ' ASP . 16.6 ttt180 -57.64 -55.15 38.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.072 177.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.0 m -61.22 -41.8 97.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.044 0.45 . . . . 0.0 110.861 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.425 ' HB3' HD11 ' A' ' 57' ' ' LEU . . . -66.0 -37.83 86.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.257 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -65.32 -37.64 87.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.467 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.3 t -66.34 -33.19 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.023 0.439 . . . . 0.0 110.279 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.56 -25.95 63.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 177.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.0 -44.27 15.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.619 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.7 p -77.35 -2.89 37.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.323 0.583 . . . . 0.0 110.667 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.606 ' HA ' HD12 ' A' ' 85' ' ' LEU . 45.2 ttt180 -56.66 -28.7 61.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.805 178.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -90.33 0.71 57.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.475 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.67 -18.01 34.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.56 0.219 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 71.9 5.05 5.24 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.547 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 82.6 m -123.36 76.95 1.44 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.34 0.591 . . . . 0.0 110.326 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.606 HD12 ' HA ' ' A' ' 80' ' ' ARG . 96.4 mt -106.58 127.77 53.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.857 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 93.2 mmm -128.45 154.15 46.37 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.771 -175.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -69.79 148.32 49.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.793 174.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.47 ' HA ' ' HG1' ' A' ' 18' ' ' THR . 9.9 p-10 -86.75 -22.57 25.88 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.839 0.352 . . . . 0.0 110.299 -179.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -89.01 6.38 39.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.889 0.376 . . . . 0.0 110.395 176.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.34 -32.39 62.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.677 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -101.55 118.78 37.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.588 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -117.62 99.33 52.33 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.665 178.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -83.66 -179.45 4.18 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.879 2.386 . . . . 0.0 112.464 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -71.43 -52.85 16.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.114 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 43.1 p -128.18 172.35 11.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.75 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 60.7 mt -71.0 -36.05 61.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.131 0.491 . . . . 0.0 110.502 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.7 10.41 4.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.864 -178.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.2 p -123.62 140.42 53.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.783 -0.19 . . . . 0.0 110.713 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 147.44 -63.1 0.44 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.29 177.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.428 179.689 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptm . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.705 0.288 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -65.15 162.36 17.22 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.7 t -61.48 -32.78 54.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.368 0.604 . . . . 0.0 109.758 177.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -64.27 -28.82 69.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.142 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 p -96.82 14.5 25.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.883 0.373 . . . . 0.0 111.193 -178.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 68.0 mtt -95.77 5.44 51.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.322 0.582 . . . . 0.0 110.219 177.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.9 mt -118.44 179.04 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.247 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.7 mt -96.74 -11.26 25.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.479 0.657 . . . . 0.0 109.615 177.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.519 ' OD1' ' HB3' ' A' ' 33' ' ' TYR . 35.7 m-80 -136.64 137.69 40.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.068 177.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -55.1 -44.79 75.24 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.415 0.626 . . . . 0.0 110.199 175.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 61' ' ' SER . 62.1 t -124.72 110.36 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.828 176.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -78.31 120.82 23.62 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.114 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.88 124.1 29.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.028 -177.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -83.39 -20.0 34.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.24 0.543 . . . . 0.0 110.515 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.597 ' HD2' ' HG2' ' A' ' 69' ' ' GLU . 30.2 mtpp -100.23 111.92 63.25 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.409 174.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.15 149.09 46.01 Favored 'Trans proline' 0 C--O 1.238 0.484 0 C-N-CA 122.778 2.319 . . . . 0.0 111.926 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.453 HG21 ' HG3' ' A' ' 72' ' ' ARG . 6.0 t -120.18 88.88 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.221 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' A' ' 27' ' ' ARG . 25.8 m -78.51 94.3 4.93 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 173.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.775 HD13 ' CZ3' ' A' ' 43' ' ' TRP . 12.2 tt -101.23 118.0 47.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.584 -176.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.421 ' HB3' ' SD ' ' A' ' 86' ' ' MET . 9.5 p -98.06 123.0 41.88 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.751 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.3 mp -94.24 153.58 17.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 177.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -60.37 -19.79 57.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.227 0.536 . . . . 0.0 110.438 177.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -69.92 -18.49 63.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.244 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.81 65.52 1.04 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.918 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -165.59 107.24 0.75 Allowed Pre-proline 0 C--N 1.326 -0.417 0 CA-C-O 120.5 0.19 . . . . 0.0 110.991 -177.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -89.93 105.85 0.36 Allowed 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 123.496 2.798 . . . . 0.0 112.107 174.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.449 ' O ' ' HA ' ' A' ' 18' ' ' THR . 24.6 mtp85 -93.16 160.51 14.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.741 177.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.449 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 60.1 mt -126.33 105.95 15.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.678 175.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -73.32 135.85 44.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.853 0.359 . . . . 0.0 110.707 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -90.75 -15.89 29.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.198 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -163.63 171.93 39.41 Favored Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.212 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.506 HG11 ' HB2' ' A' ' 61' ' ' SER . 28.5 t -67.37 -27.74 39.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.965 0.412 . . . . 0.0 110.806 -177.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.519 ' HB3' ' OD1' ' A' ' 9' ' ' ASN . 71.3 t80 -59.61 -44.52 93.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.753 -176.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.45 -49.27 78.46 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.687 176.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.494 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -60.05 -46.95 87.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.742 -175.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -59.57 -45.52 91.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.061 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -69.85 -43.22 72.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.814 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -58.51 -42.89 88.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.25 -177.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 95.3 mt -61.14 -34.54 75.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.289 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -76.8 -28.24 55.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.898 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -68.94 -70.15 0.29 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.818 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -162.15 80.44 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.872 0.844 . . . . 0.0 111.361 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.775 ' CZ3' HD13 ' A' ' 19' ' ' ILE . 42.2 t-105 -92.21 116.17 65.99 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.239 173.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.651 ' HD2' ' CE3' ' A' ' 43' ' ' TRP . 68.2 Cg_exo -39.93 -45.76 3.8 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 124.398 3.398 . . . . 0.0 114.746 -175.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.415 ' HB2' ' NE1' ' A' ' 43' ' ' TRP . . . -80.04 103.15 9.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.935 0.397 . . . . 0.0 110.323 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.6 ptt85 -122.16 153.91 38.13 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.765 -175.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.96 -64.97 0.55 Allowed Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 119.848 -1.168 . . . . 0.0 113.779 168.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.511 ' CG ' ' H ' ' A' ' 49' ' ' ARG . 5.0 t70 -103.64 -166.15 1.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.537 0.684 . . . . 0.0 112.052 -164.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.511 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 56.3 mtm180 -68.02 -15.42 63.59 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.111 -0.949 . . . . 0.0 111.806 -173.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.66 -44.48 86.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.007 0.432 . . . . 0.0 110.186 177.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -70.16 -40.77 74.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.573 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -63.85 -48.03 78.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.409 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.554 HE21 ' HG ' ' A' ' 57' ' ' LEU . 25.0 tp60 -64.02 -36.12 82.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.408 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.33 -43.1 92.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.904 0.383 . . . . 0.0 110.336 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.64 -48.53 74.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.621 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -58.41 -44.03 88.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.213 -178.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.554 ' HG ' HE21 ' A' ' 53' ' ' GLN . 89.3 mt -60.44 -50.41 73.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.763 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 63.4 m -62.89 -38.88 92.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.763 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -62.43 -49.39 75.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.582 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.418 ' HB3' ' HB3' ' A' ' 65' ' ' ASP . . . -66.91 -33.25 75.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.012 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.547 ' O ' HG23 ' A' ' 11' ' ' VAL . 52.5 m -65.3 -36.29 83.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.751 177.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 82.2 mt -68.08 -11.79 59.68 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.832 0.349 . . . . 0.0 111.165 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.4 mmm -106.03 8.94 32.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.322 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.37 21.87 76.12 Favored Glycine 0 C--N 1.332 0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.807 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.418 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 11.5 t70 -87.36 -48.57 7.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.109 0.48 . . . . 0.0 110.495 -177.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.6 t -90.76 134.59 29.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.463 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.67 148.53 51.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.309 175.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.37 -45.28 89.24 Favored Glycine 0 CA--C 1.518 0.245 0 CA-C-N 115.971 -0.558 . . . . 0.0 113.589 -173.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.597 ' HG2' ' HD2' ' A' ' 15' ' ' LYS . 39.7 mt-10 -68.3 -41.63 80.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.887 0.343 . . . . 0.0 110.957 -177.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 65.3 mt -55.1 -50.2 65.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.893 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.57 91.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.896 -177.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.453 ' HG3' HG21 ' A' ' 17' ' ' VAL . 1.4 ttp180 -71.84 -36.27 70.13 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.585 -172.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.0 m -69.02 -43.64 74.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.869 0.366 . . . . 0.0 110.419 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.28 -29.29 68.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.087 0.47 . . . . 0.0 110.554 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -59.71 -45.79 91.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.037 175.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 64.8 t -64.69 -33.08 60.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.546 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.75 98.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.683 176.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.69 -24.74 61.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.145 0.498 . . . . 0.0 110.773 177.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.714 ' HA ' ' HZ2' ' A' ' 43' ' ' TRP . 38.9 m -70.06 -17.83 63.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.02 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.695 ' HG2' HD13 ' A' ' 85' ' ' LEU . 98.3 mtt180 -67.43 -23.06 65.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.357 -176.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -72.56 -24.6 61.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.927 0.394 . . . . 0.0 110.603 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.71 -14.31 58.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.048 0.451 . . . . 0.0 109.944 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 61.56 26.4 16.12 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.323 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 51.3 m -127.16 79.7 1.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.021 177.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.695 HD13 ' HG2' ' A' ' 80' ' ' ARG . 96.3 mt -100.08 135.58 41.29 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.865 -175.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.421 ' SD ' ' HB3' ' A' ' 20' ' ' SER . 80.1 mtp -136.07 105.44 6.05 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.281 170.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -63.95 131.52 47.91 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -68.47 158.53 33.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.474 0.654 . . . . 0.0 111.983 -167.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.3 pttm -88.54 -8.03 55.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.768 -174.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.04 11.0 26.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.195 0.522 . . . . 0.0 110.372 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -123.58 142.5 50.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.29 177.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.445 ' HB1' ' HG1' ' A' ' 95' ' ' THR . . . 61.53 89.53 0.1 Allowed Pre-proline 0 C--O 1.233 0.21 0 O-C-N 123.642 0.589 . . . . 0.0 110.448 -174.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -56.59 -25.23 58.09 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.613 2.875 . . . . 0.0 113.992 -172.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.403 HD21 ' HA ' ' A' ' 94' ' ' ASN . 13.0 m120 -83.33 -3.61 57.66 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -176.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.445 ' HG1' ' HB1' ' A' ' 92' ' ' ALA . 84.9 m -70.95 -48.74 51.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.043 0.449 . . . . 0.0 110.544 177.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 27.4 pt -91.99 142.6 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.221 0.534 . . . . 0.0 111.395 -176.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.17 139.24 38.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.326 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.5 m -138.75 109.96 6.88 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.247 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 74.82 -132.01 13.38 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.822 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.2 p . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.793 -0.622 . . . . 0.0 110.333 179.311 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.1 mtp . . . . . 0 N--CA 1.483 1.214 0 CA-C-O 120.655 0.264 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -86.73 -56.98 3.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.057 -177.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.3 t -72.02 -58.29 5.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.435 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -83.29 117.38 22.94 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.903 178.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m -69.5 145.26 52.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.475 -174.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 57.8 ttp -101.43 103.11 14.01 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.635 174.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.6 mt -88.15 157.02 18.95 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.575 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.1 tp -123.77 157.36 34.19 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.753 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -87.02 64.35 8.42 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 178.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -70.44 109.46 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.788 0.804 . . . . 0.0 109.943 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.6 t -96.39 139.94 18.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.293 -174.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.0 mtmt -90.8 18.55 6.38 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.097 -176.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 63.83 -172.97 0.17 Allowed 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.231 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.679 ' HB2' ' HD2' ' A' ' 15' ' ' LYS . 35.2 mt-10 -110.14 -61.9 1.59 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 171.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.679 ' HD2' ' HB2' ' A' ' 14' ' ' GLU . 5.3 mptt -108.64 122.28 40.7 Favored Pre-proline 0 N--CA 1.448 -0.554 0 CA-C-N 114.4 -1.273 . . . . 0.0 109.11 177.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.32 154.49 46.54 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 123.229 2.619 . . . . 0.0 112.593 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.536 HG21 ' HG3' ' A' ' 72' ' ' ARG . 61.5 t -104.56 127.77 58.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.855 -178.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.3 m -105.56 101.62 11.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.587 175.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' A' ' 26' ' ' PRO . 12.6 tt -98.31 116.08 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.24 0.543 . . . . 0.0 110.415 -176.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.1 t -82.36 119.74 24.54 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.504 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.4 mt -89.3 -177.57 5.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.139 -177.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -59.55 -33.26 71.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.514 . . . . 0.0 112.157 -173.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -85.24 3.99 36.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.585 0.231 . . . . 0.0 111.102 -178.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.26 9.72 81.49 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.037 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.452 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -88.65 116.64 66.85 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 120.487 0.184 . . . . 0.0 110.598 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.469 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 17.7 Cg_endo -90.36 114.91 0.51 Allowed 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.238 2.625 . . . . 0.0 112.732 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -94.74 128.2 41.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.155 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.493 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 63.2 mt -101.47 122.31 53.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.481 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -93.68 139.12 31.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.42 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -86.18 -24.49 26.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.694 -177.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.76 -178.86 25.1 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 111.603 -0.599 . . . . 0.0 111.603 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.549 HG11 ' HB3' ' A' ' 61' ' ' SER . 15.7 t -72.98 -29.14 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.763 0.316 . . . . 0.0 110.997 -176.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -62.58 -46.39 88.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.83 -177.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -60.49 -35.56 76.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.436 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -67.75 -49.27 63.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.821 178.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -63.37 -38.45 91.18 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.45 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -64.9 -44.11 90.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.558 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -59.62 -41.67 90.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.751 178.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 95.2 mt -59.86 -31.1 69.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.247 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -87.24 -32.54 19.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.877 -177.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -94.44 -78.4 0.44 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.861 0.362 . . . . 0.0 111.958 -176.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -107.77 33.41 4.09 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.099 0.778 . . . . 0.0 113.099 -167.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.44 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 76.3 t-105 -64.32 108.4 1.9 Allowed Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 170.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 43' ' ' TRP . 68.8 Cg_endo -94.66 30.01 0.23 Allowed 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 123.494 2.796 . . . . 0.0 114.103 -167.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -150.14 -177.01 5.68 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -92.4 -138.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 174.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.92 -51.34 0.83 Allowed Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 -175.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.404 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 1.5 t70 60.82 -88.7 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 114.039 -1.08 . . . . 0.0 111.424 171.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.428 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 50.3 mmm-85 -64.58 -48.94 73.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.488 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.17 -28.85 68.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.174 0.512 . . . . 0.0 110.758 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.468 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 78.3 t60 -64.43 -40.84 96.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.093 178.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 48' ' ' ASP . 44.6 mt-10 -66.95 -39.71 87.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.841 178.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.498 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 80.2 mt-30 -61.41 -44.46 97.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.344 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.96 -39.93 87.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.916 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 51' ' ' HIS . 96.0 mt -61.24 -46.79 88.94 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 177.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -59.22 -43.89 92.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.516 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 73.2 mt -65.9 -48.66 70.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.318 -177.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 64.7 m -62.03 -40.63 96.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.733 0.301 . . . . 0.0 110.621 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -65.93 -40.98 91.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.25 -32.67 73.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.032 0.444 . . . . 0.0 110.771 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.549 ' HB3' HG11 ' A' ' 32' ' ' VAL . 22.8 t -69.4 -32.7 71.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.91 176.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.2 mt -73.48 -4.5 34.15 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-O 121.113 0.482 . . . . 0.0 110.849 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 82.3 mtp -100.73 -13.78 18.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.001 174.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.57 0.31 64.83 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.028 -0.606 . . . . 0.0 113.093 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -84.71 -13.84 50.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.012 0.434 . . . . 0.0 111.152 -177.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.491 HG11 ' HB ' ' A' ' 70' ' ' ILE . 86.8 t -113.74 111.39 35.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.856 176.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.65 89.7 6.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.236 -175.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.51 -91.01 0.01 OUTLIER Glycine 0 CA--C 1.522 0.47 0 O-C-N 124.068 0.855 . . . . 0.0 115.151 167.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -43.87 -44.7 7.13 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 123.995 0.918 . . . . 0.0 112.846 -174.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.491 ' HB ' HG11 ' A' ' 66' ' ' VAL . 60.5 mt -55.77 -45.57 79.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.997 0.427 . . . . 0.0 111.327 -177.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.04 -34.16 71.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.536 ' HG3' HG21 ' A' ' 17' ' ' VAL . 13.9 ttp180 -68.91 -49.52 57.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 110.727 -178.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.4 p -65.02 -41.19 95.54 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.208 -178.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.82 -35.12 76.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.363 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -63.43 -42.83 98.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.987 0.422 . . . . 0.0 110.523 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 66.9 t -65.06 -35.07 74.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.296 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.77 -28.29 68.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.028 177.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.24 -36.39 58.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.967 0.413 . . . . 0.0 110.673 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.7 t -70.26 -10.4 58.81 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.32 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -59.11 -43.1 91.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.547 176.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -76.93 -9.37 58.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.22 -177.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.21 -3.92 57.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.11 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 65.39 27.24 11.92 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.778 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 35.7 t -154.98 99.42 2.11 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 121.545 0.688 . . . . 0.0 110.129 -176.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 97.4 mt -103.7 168.15 9.33 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.08 -0.963 . . . . 0.0 109.942 175.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 57.0 ttp -65.18 -24.87 67.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.312 0.577 . . . . 0.0 110.231 177.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -80.97 -16.45 53.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.867 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -91.33 112.42 24.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.679 -174.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -81.62 101.04 9.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.774 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.21 -26.57 60.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.023 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -112.5 151.14 30.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.673 178.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -136.74 93.4 13.93 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.818 176.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -71.24 137.07 30.47 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.481 2.121 . . . . 0.0 112.232 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -97.32 -1.41 44.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.143 0.497 . . . . 0.0 110.47 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.3 m -85.81 -10.86 54.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.91 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 11.9 tt -95.78 122.13 46.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.24 0.543 . . . . 0.0 111.181 -177.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.77 109.16 15.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.341 173.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.0 p -66.82 -45.7 77.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.769 -175.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 106.81 58.79 0.59 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.386 -175.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.247 0.922 0 CA-C-O 119.217 -0.42 . . . . 0.0 110.467 179.899 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.9 mtm . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -74.88 -36.09 62.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.079 0.466 . . . . 0.0 110.019 175.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.3 t -95.45 135.25 30.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.33 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -89.57 141.3 28.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.976 0.417 . . . . 0.0 110.865 -177.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 p -98.25 102.87 14.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.909 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 86.9 mtp -106.15 158.52 16.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.222 178.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.0 mt -117.79 152.44 35.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.545 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.583 HD22 ' HA ' ' A' ' 63' ' ' MET . 69.9 mt -88.15 123.45 32.82 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 176.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -94.16 169.43 10.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 -173.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -72.9 97.9 2.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.313 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.688 HG22 HD21 ' A' ' 62' ' ' LEU . 12.0 m -85.45 111.48 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 CA-C-O 121.416 0.626 . . . . 0.0 109.681 177.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.97 152.28 25.52 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.668 -177.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.13 140.96 34.72 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.778 0.323 . . . . 0.0 110.622 -179.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -68.87 -32.13 71.57 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 174.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -133.21 108.88 12.52 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.261 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -50.69 148.92 14.84 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 123.514 2.809 . . . . 0.0 112.901 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.493 HG22 ' HG3' ' A' ' 72' ' ' ARG . 39.3 t -113.21 129.82 68.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.72 -177.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.746 HG23 HG12 ' A' ' 28' ' ' ILE . 2.0 p -99.57 97.58 8.55 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.942 0.401 . . . . 0.0 110.44 176.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.916 HD12 ' HZ3' ' A' ' 43' ' ' TRP . 6.3 tt -88.52 106.27 16.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.69 0.757 . . . . 0.0 109.931 -175.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.507 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 8.5 t -78.5 111.05 14.14 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.857 -176.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.2 mt -87.54 154.88 20.27 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.66 176.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -61.03 -16.39 42.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.208 0.528 . . . . 0.0 110.874 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -64.05 -20.27 65.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.474 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.5 32.68 4.44 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.237 175.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -156.56 122.54 2.52 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 117.037 0.418 . . . . 0.0 111.214 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.655 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 2.0 Cg_endo -84.41 114.36 1.8 Allowed 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.954 2.436 . . . . 0.0 112.027 172.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -83.73 140.07 32.34 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.746 HG12 HG23 ' A' ' 18' ' ' THR . 21.8 mt -96.14 112.52 28.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.495 -177.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -82.96 143.94 30.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.858 0.361 . . . . 0.0 110.396 177.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -97.04 -29.83 13.41 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.312 0.577 . . . . 0.0 109.986 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.62 162.65 28.27 Favored Glycine 0 N--CA 1.44 -1.065 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.575 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.482 HG12 ' HB2' ' A' ' 61' ' ' SER . 7.0 t -68.18 -21.35 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.331 0.586 . . . . 0.0 110.099 -178.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -60.29 -43.99 95.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.293 178.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -66.78 -42.64 85.7 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.346 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.54 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -60.33 -50.82 72.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.907 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.511 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 77.2 t80 -54.33 -47.17 72.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.888 178.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -66.36 -45.66 79.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.307 -177.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -60.24 -39.76 87.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.672 0.273 . . . . 0.0 111.25 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.0 mt -61.74 -23.62 66.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.477 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -89.99 -26.85 20.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.935 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -73.84 -62.94 1.32 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.219 -176.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -160.19 79.0 0.67 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.408 0.623 . . . . 0.0 112.154 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.916 ' HZ3' HD12 ' A' ' 19' ' ' ILE . 60.7 t-105 -84.16 108.54 14.55 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.004 172.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -88.04 33.79 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.243 2.629 . . . . 0.0 113.776 -170.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.454 ' HB2' ' CE2' ' A' ' 43' ' ' TRP . . . -129.74 113.92 15.32 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.963 0.411 . . . . 0.0 110.534 178.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -77.65 130.59 37.03 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.304 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.95 -29.03 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.083 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 72.29 -74.46 0.09 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.977 0.511 . . . . 0.0 112.35 175.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -66.1 -44.25 84.92 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -170.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.64 -37.46 87.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.408 . . . . 0.0 110.528 177.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -68.57 -39.76 80.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.027 177.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -61.51 -44.33 97.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.917 177.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.494 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 8.0 tt0 -62.11 -46.17 90.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.374 177.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.89 -45.32 74.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.589 -178.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.1 mp -62.65 -44.78 95.4 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.762 0.315 . . . . 0.0 110.989 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.6 ttp85 -61.0 -46.38 91.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.704 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 73.2 mt -58.18 -49.37 77.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.844 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.511 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 79.1 m -65.87 -39.94 91.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.423 -176.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -68.31 -40.19 81.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.789 0.328 . . . . 0.0 110.273 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.65 -31.65 72.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.689 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.482 ' HB2' HG12 ' A' ' 32' ' ' VAL . 30.6 m -67.58 -38.15 83.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.181 175.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.688 HD21 HG22 ' A' ' 11' ' ' VAL . 95.0 mt -65.56 -28.63 69.29 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.232 0.539 . . . . 0.0 110.021 176.166 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.583 ' HA ' HD22 ' A' ' 8' ' ' LEU . 88.1 mtp -81.73 1.03 36.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.668 177.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.94 13.85 80.58 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.645 178.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -85.89 -43.75 12.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.105 0.479 . . . . 0.0 110.436 -175.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.452 HG11 ' HB ' ' A' ' 70' ' ' ILE . 61.8 t -100.53 115.66 42.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.06 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.23 89.65 8.01 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -175.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 63.88 -92.56 0.11 Allowed Glycine 0 CA--C 1.522 0.485 0 N-CA-C 115.259 0.864 . . . . 0.0 115.259 166.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -67.46 -28.9 68.26 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 113.097 0.776 . . . . 0.0 113.097 -167.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.452 ' HB ' HG11 ' A' ' 66' ' ' VAL . 59.0 mt -57.98 -48.95 82.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.95 -37.02 78.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.423 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.504 ' O ' HG21 ' A' ' 76' ' ' VAL . 31.1 ttt-85 -57.29 -54.16 49.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.898 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.8 m -63.48 -39.85 95.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.252 -177.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.44 -33.62 73.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.025 179.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -66.88 -37.58 84.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.217 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.504 HG21 ' O ' ' A' ' 72' ' ' ARG . 90.4 t -63.02 -41.12 91.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.334 177.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.07 -36.87 85.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.88 72.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.393 176.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.5 m -66.05 -21.25 66.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.735 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.806 ' HG3' HD23 ' A' ' 85' ' ' LEU . 50.9 ttt180 -67.9 -22.44 65.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.84 0.352 . . . . 0.0 110.45 178.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -71.79 -25.71 62.12 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.13 -8.21 57.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.169 175.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 66.52 20.35 10.85 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.112 177.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 20' ' ' SER . 56.1 m -135.82 86.19 2.22 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.806 HD23 ' HG3' ' A' ' 80' ' ' ARG . 3.7 mm? -78.24 166.79 22.3 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.645 179.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.611 ' HG2' ' O ' ' A' ' 18' ' ' THR . 65.3 mtm -47.7 133.97 13.18 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.804 174.067 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -67.61 -50.6 57.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.28 -178.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 54.64 32.98 18.27 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.286 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.794 ' HZ3' ' HB2' ' A' ' 89' ' ' LYS . 10.3 mtmp? 67.87 101.1 0.05 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.063 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -143.05 144.71 32.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.937 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -86.72 134.01 33.62 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.973 0.416 . . . . 0.0 110.812 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -137.76 108.68 8.46 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.44 4.55 3.84 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.811 2.341 . . . . 0.0 111.912 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -88.61 -27.77 21.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.017 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.7 m -76.99 -40.33 47.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.791 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 59.4 mt -112.99 118.7 58.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.211 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.34 131.61 51.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.819 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.5 m -128.07 101.4 6.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.679 -177.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -86.12 97.97 2.26 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.906 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.447 -0.787 . . . . 0.0 110.124 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 120.502 0.192 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -89.92 -50.97 5.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.954 0.406 . . . . 0.0 110.276 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 55.4 t -84.18 124.57 39.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.32 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -91.95 154.22 18.96 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.369 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.9 m -81.78 150.06 28.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.662 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 55.1 ttp -67.35 -35.0 78.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.254 178.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 98.7 mt -80.72 110.43 16.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.223 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.6 mt -95.9 135.99 36.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.288 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.424 ' O ' HG22 ' A' ' 11' ' ' VAL . 3.5 p-10 -93.66 45.34 1.15 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.976 0.417 . . . . 0.0 110.934 178.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -67.52 92.02 0.3 Allowed 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 172.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.424 HG22 ' O ' ' A' ' 9' ' ' ASN . 22.1 t -90.21 105.79 16.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -178.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -64.59 144.33 57.29 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.006 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -86.8 117.43 25.54 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 172.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -60.35 -33.78 72.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.208 -175.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.9 tttm -125.28 100.22 32.84 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 168.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -46.85 140.58 12.84 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.817 3.011 . . . . 0.0 113.607 -174.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.0 t -101.0 126.28 54.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.665 -178.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.516 ' O ' ' HB2' ' A' ' 86' ' ' MET . 11.9 m -103.66 117.4 34.3 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.732 177.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.66 HD13 ' HZ3' ' A' ' 43' ' ' TRP . 13.3 tt -107.93 149.35 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -177.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.494 ' HB2' ' HG2' ' A' ' 86' ' ' MET . 22.9 t -103.89 104.57 14.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.829 0.347 . . . . 0.0 110.356 -177.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.4 mp -71.2 167.42 19.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.588 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -64.22 -17.9 64.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.407 0.622 . . . . 0.0 109.885 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -64.35 -21.89 66.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.422 176.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.4 33.88 21.51 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -172.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.437 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -129.87 135.45 27.52 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.405 -0.398 . . . . 0.0 110.813 -176.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 2.5 Cg_endo -85.3 118.6 1.96 Allowed 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.291 2.66 . . . . 0.0 111.773 176.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -106.33 126.29 52.05 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 51.6 mt -97.0 117.57 41.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.929 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -91.35 123.85 35.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.823 176.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -91.51 -21.22 21.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.236 0.541 . . . . 0.0 109.766 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -136.96 155.74 22.89 Favored Glycine 0 N--CA 1.443 -0.839 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.369 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.494 HG11 ' HB2' ' A' ' 61' ' ' SER . 46.8 t -62.72 -31.61 52.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.78 0.324 . . . . 0.0 110.913 -178.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -60.93 -42.8 98.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.193 -178.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.23 -42.15 90.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.066 0.46 . . . . 0.0 110.669 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.59 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -72.56 -43.96 62.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.096 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -59.8 -35.06 73.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.965 -178.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -69.19 -46.25 67.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.971 0.415 . . . . 0.0 109.961 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -59.44 -41.94 90.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.503 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 84.6 mt -65.94 -18.4 65.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.072 -176.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -100.84 -0.64 36.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.155 0.502 . . . . 0.0 110.303 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -109.22 -61.65 1.6 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.195 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -140.22 60.69 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.006 -171.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.66 ' HZ3' HD13 ' A' ' 19' ' ' ILE . 75.0 t-105 -81.58 104.08 2.7 Favored Pre-proline 0 C--N 1.329 -0.326 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 168.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -66.57 -38.26 19.6 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 123.216 2.61 . . . . 0.0 114.446 -165.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.654 ' HB1' ' HB1' ' A' ' 82' ' ' ALA . . . -95.2 148.56 22.26 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.05 0.453 . . . . 0.0 111.308 -174.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -81.34 -168.5 1.87 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.731 177.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.414 ' HA3' ' HB3' ' A' ' 50' ' ' ALA . . . 142.32 -18.45 2.48 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.833 -178.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.8 t0 63.63 -81.38 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.031 0.532 . . . . 0.0 111.322 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 68.0 mtp85 -74.07 -20.76 60.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.619 0.247 . . . . 0.0 110.453 178.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.414 ' HB3' ' HA3' ' A' ' 47' ' ' GLY . . . -66.77 -40.71 88.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.217 0.532 . . . . 0.0 109.586 172.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -70.1 -43.56 70.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.218 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -61.5 -43.9 98.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.204 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.44 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 8.6 tt0 -60.57 -40.34 91.3 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.643 0.259 . . . . 0.0 110.826 -178.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.428 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -57.85 -48.05 80.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.821 178.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.3 mp -70.37 -37.25 74.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.56 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.9 tpp85 -53.21 -52.22 59.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.921 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 64.5 mt -65.57 -48.7 71.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.4 -176.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 63.2 m -64.83 -34.76 79.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.325 -177.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -62.97 -42.28 99.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.886 0.374 . . . . 0.0 110.469 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.87 -26.49 57.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.132 0.491 . . . . 0.0 111.053 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.494 ' HB2' HG11 ' A' ' 32' ' ' VAL . 44.9 m -74.2 -34.34 63.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.4 mt -70.33 -12.72 61.78 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.794 0.331 . . . . 0.0 111.006 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 66.6 mtt -82.05 -14.89 55.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.002 175.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.25 5.77 79.34 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.247 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -82.57 -39.54 22.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.792 0.33 . . . . 0.0 110.853 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.9 t -90.17 124.34 42.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 177.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.09 98.64 10.21 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -172.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.95 -100.72 0.05 OUTLIER Glycine 0 CA--C 1.52 0.348 0 N-CA-C 115.118 0.807 . . . . 0.0 115.118 167.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -62.34 -28.11 69.52 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 -172.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 66.0 mt -59.15 -44.65 92.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.18 0.514 . . . . 0.0 109.659 175.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.59 -36.59 76.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.641 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.562 ' O ' HG21 ' A' ' 76' ' ' VAL . 10.1 ttt180 -59.59 -58.12 9.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.936 -179.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.4 m -62.93 -36.78 84.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.384 -176.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.89 -41.87 86.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.624 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -63.12 -38.62 91.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.184 177.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.587 HG11 HD22 ' A' ' 85' ' ' LEU . 92.6 t -60.7 -37.72 76.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.59 177.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.08 89.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.95 0.405 . . . . 0.0 110.935 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.07 -47.91 40.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.973 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' A' ' 84' ' ' CYS . 6.2 p -67.78 -23.6 65.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.764 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -59.58 -45.68 91.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.496 174.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -62.5 -35.01 78.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.538 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.654 ' HB1' ' HB1' ' A' ' 45' ' ' ALA . . . -88.57 -3.64 58.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.351 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 60.23 56.6 3.21 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.371 0.605 . . . . 0.0 111.348 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 79' ' ' SER . 51.0 t -136.73 80.74 1.84 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.216 176.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.587 HD22 HG11 ' A' ' 76' ' ' VAL . 95.1 mt -130.47 136.03 48.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.843 -173.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.516 ' HB2' ' O ' ' A' ' 18' ' ' THR . 86.9 mmm -114.36 109.45 18.36 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 169.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -75.85 143.19 41.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.968 -175.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.93 147.15 53.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.75 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.499 ' O ' ' HB3' ' A' ' 93' ' ' PRO . 88.9 mttt -77.84 11.57 2.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.248 0.547 . . . . 0.0 111.213 -176.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -84.07 -13.34 53.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.893 173.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -99.43 104.41 16.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.84 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 50.84 70.52 1.96 Allowed Pre-proline 0 N--CA 1.466 0.335 0 O-C-N 123.746 0.654 . . . . 0.0 111.981 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.499 ' HB3' ' O ' ' A' ' 89' ' ' LYS . 66.4 Cg_endo -87.78 -175.12 1.36 Allowed 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.796 2.331 . . . . 0.0 112.591 -177.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -117.66 123.56 46.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.458 175.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 26.3 m -64.93 -44.16 90.42 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.112 0.482 . . . . 0.0 110.083 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.533 HG12 ' H ' ' A' ' 98' ' ' SER . 8.5 tt -91.88 128.1 43.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.968 177.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.91 -21.06 65.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.018 0.437 . . . . 0.0 111.348 -177.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.533 ' H ' HG12 ' A' ' 96' ' ' ILE . 6.9 m -95.46 14.98 20.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.159 178.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -74.88 102.96 1.48 Allowed Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.568 -178.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 C--O 1.249 1.04 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.731 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.565 ' H1 ' ' CG ' ' A' ' 10' ' ' ASP . 48.6 mtt . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -105.28 136.75 44.23 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 176.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 8' ' ' LEU . 17.9 t -104.12 133.37 48.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.924 0.392 . . . . 0.0 111.465 -172.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -72.35 -62.57 1.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.953 177.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.8 m -103.38 112.73 25.75 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 175.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 85.9 mtp -71.47 3.08 4.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.207 -171.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.88 -28.89 69.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.202 0.525 . . . . 0.0 109.715 170.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.409 ' O ' HG13 ' A' ' 3' ' ' VAL . 64.3 tp -97.52 131.35 44.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.08 175.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -89.96 135.78 33.44 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.51 -0.476 . . . . 0.0 109.83 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.565 ' CG ' ' H1 ' ' A' ' 1' ' ' MET . 38.3 t70 -51.27 -55.13 19.86 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.323 0.582 . . . . 0.0 110.923 -179.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.641 HG11 ' HB ' ' A' ' 32' ' ' VAL . 2.7 p -130.32 93.89 2.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.047 172.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.547 ' HE2' ' HB3' ' A' ' 30' ' ' ASN . 41.3 tttm -75.96 141.72 42.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.128 -174.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.39 136.01 38.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.412 -173.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.446 ' HG2' ' HA3' ' A' ' 68' ' ' GLY . 10.2 pt-20 -64.34 -39.7 94.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.485 173.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 54.8 mttp -128.34 100.66 22.61 Favored Pre-proline 0 N--CA 1.447 -0.605 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.088 178.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -47.64 154.87 1.64 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.937 3.091 . . . . 0.0 113.716 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.482 HG21 ' HG3' ' A' ' 72' ' ' ARG . 53.1 t -126.86 127.89 70.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.243 -172.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.414 HG21 HG12 ' A' ' 28' ' ' ILE . 13.1 m -108.35 126.31 52.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.146 177.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.7 tt -119.0 144.41 27.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.496 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.0 t -104.61 134.82 47.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.771 0.32 . . . . 0.0 110.684 176.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.2 mp -84.54 176.66 8.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.198 172.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -59.46 -29.79 68.06 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -174.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -93.64 1.23 56.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.157 0.503 . . . . 0.0 110.372 -174.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.23 71.9 1.3 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.153 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.35 110.06 8.93 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -74.84 109.24 2.88 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.944 2.429 . . . . 0.0 112.794 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 -100.45 120.67 40.34 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.59 172.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.414 HG12 HG21 ' A' ' 18' ' ' THR . 53.7 mt -106.94 124.69 62.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -177.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -102.49 136.47 42.25 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.932 -178.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.547 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . 28.5 m-80 -84.18 -19.47 34.02 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.02 177.69 34.64 Favored Glycine 0 N--CA 1.439 -1.12 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.219 -178.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.641 ' HB ' HG11 ' A' ' 11' ' ' VAL . 47.8 t -62.91 -39.81 86.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 C-N-CA 123.075 0.55 . . . . 0.0 111.077 -176.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -60.26 -41.04 92.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.97 -172.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -64.07 -36.64 84.68 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.48 178.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.59 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -64.88 -43.25 93.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.459 176.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.447 ' HA ' HD13 ' A' ' 39' ' ' LEU . 85.1 t80 -62.95 -43.06 99.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.09 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -66.21 -40.97 90.73 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.417 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -60.21 -45.27 93.75 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.413 175.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 95.0 mt -54.32 -31.6 54.62 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.732 178.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -87.52 -33.0 19.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.196 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -87.32 -90.38 0.12 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.064 -173.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.411 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 2.9 mp0 -98.86 24.66 7.41 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -169.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.511 ' HB2' ' HA ' ' A' ' 39' ' ' LEU . 70.4 t-105 -75.24 108.9 6.32 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 174.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 42' ' ' GLU . 82.0 Cg_endo -93.39 -0.0 3.43 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.096 2.531 . . . . 0.0 113.652 -173.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.491 ' HB3' ' NE1' ' A' ' 43' ' ' TRP . . . -82.78 105.97 14.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.254 0.55 . . . . 0.0 111.245 -176.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 46' ' ' ARG . 42.4 mtm-85 -80.34 152.56 28.88 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.246 178.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 157.32 -26.53 0.48 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.639 -177.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 t70 73.48 -71.69 0.13 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.674 0.789 . . . . 0.0 111.897 174.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.414 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 78.8 mtm180 -61.64 -50.83 70.94 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 121.281 -0.168 . . . . 0.0 111.264 -178.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.24 -32.58 68.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.284 0.564 . . . . 0.0 110.506 176.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -68.54 -46.53 69.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.354 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -62.88 -37.15 85.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.279 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.515 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 90.2 mt-30 -57.71 -45.28 85.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.741 0.305 . . . . 0.0 110.523 178.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.32 92.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.449 HD13 HD12 ' A' ' 39' ' ' LEU . 10.9 mp -67.26 -41.31 85.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.805 178.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.0 tpt85 -58.95 -42.05 88.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.818 178.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 44.8 mt -64.64 -43.79 92.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.529 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.481 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 84.1 m -68.25 -42.58 79.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.825 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.483 ' O ' ' HG3' ' A' ' 63' ' ' MET . 41.8 ttm180 -62.55 -38.1 88.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.665 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.86 -36.41 83.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.193 0.521 . . . . 0.0 110.609 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.542 ' HB2' HG11 ' A' ' 32' ' ' VAL . 20.1 m -71.9 -35.02 69.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.36 178.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 95.1 mt -67.39 -26.53 66.49 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.355 177.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.483 ' HG3' ' O ' ' A' ' 59' ' ' ARG . 89.7 mtp -69.48 -26.43 64.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.245 0.545 . . . . 0.0 109.697 173.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.49 6.54 57.42 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.439 -0.8 . . . . 0.0 113.318 175.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -106.38 24.92 11.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.501 0.65 . . . . 0.0 110.813 -175.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.442 ' HB ' ' HA ' ' A' ' 61' ' ' SER . 78.6 t -132.59 133.83 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.44 177.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.01 148.88 35.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.849 173.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.446 ' HA3' ' HG2' ' A' ' 14' ' ' GLU . . . -56.73 -49.85 67.5 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 116.114 -0.493 . . . . 0.0 113.736 -172.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -65.77 -25.9 67.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.019 0.41 . . . . 0.0 111.913 -175.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.4 mt -62.2 -52.44 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 176.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.23 -37.09 84.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.125 175.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.482 ' HG3' HG21 ' A' ' 17' ' ' VAL . 38.5 ttp85 -60.03 -48.82 80.15 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.78 0.324 . . . . 0.0 111.03 -179.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.6 m -62.1 -44.84 95.77 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.839 -177.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.74 -27.43 64.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.509 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -69.62 -34.03 73.48 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.982 0.42 . . . . 0.0 110.083 178.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.8 t -67.85 -35.67 73.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.285 0.564 . . . . 0.0 109.802 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.44 90.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.747 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.74 -42.11 82.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.236 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.8 p -71.96 -16.65 62.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.929 0.395 . . . . 0.0 111.156 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 80' ' ' ARG . 41.4 ttt-85 -67.71 -33.08 74.17 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.215 175.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? -64.29 -36.84 85.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.321 0.582 . . . . 0.0 109.752 177.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.449 ' HB1' ' HB1' ' A' ' 45' ' ' ALA . . . -77.98 -8.27 57.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.676 176.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 61.34 23.71 13.91 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.727 -177.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 67.7 m -117.78 75.43 0.99 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.374 0.607 . . . . 0.0 110.248 -177.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 97.1 mt -94.54 148.47 22.22 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.458 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 12.5 tpt -84.32 -4.2 58.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.433 0.635 . . . . 0.0 109.661 177.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -85.3 146.53 27.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.294 175.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -99.92 129.0 45.95 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.994 0.426 . . . . 0.0 110.653 -179.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -147.93 97.01 2.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.74 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.36 49.02 0.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.152 0.501 . . . . 0.0 111.285 -177.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -129.96 26.44 5.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.435 -177.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.488 ' C ' ' H ' ' A' ' 94' ' ' ASN . . . -77.66 144.69 69.72 Favored Pre-proline 0 C--N 1.319 -0.752 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.404 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -68.54 29.83 0.15 Allowed 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 123.672 2.914 . . . . 0.0 113.204 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . 0.488 ' H ' ' C ' ' A' ' 92' ' ' ALA . 85.0 m-20 -91.41 -25.35 19.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.899 178.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 57.3 p -130.73 178.23 6.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.522 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.8 pt -90.42 6.48 4.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.924 0.392 . . . . 0.0 110.678 177.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.18 -38.32 90.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.266 -176.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.0 p -76.72 106.4 8.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.186 0.517 . . . . 0.0 110.691 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 123.66 26.25 1.62 Allowed Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.798 -177.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.735 -0.65 . . . . 0.0 109.985 179.456 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.483 1.18 0 N-CA-C 110.259 -0.275 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -59.6 -46.01 90.22 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 172.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.9 m -123.23 176.36 5.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.422 173.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -111.04 146.97 35.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.267 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 p -67.98 -33.08 73.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.374 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 89.6 mtp 62.92 32.32 15.75 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.163 0.506 . . . . 0.0 111.146 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.5 tp -82.1 -3.17 54.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.291 0.567 . . . . 0.0 110.457 -177.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.6 mt -78.32 -16.27 57.89 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.293 -178.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 60.17 37.0 20.97 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 -175.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -69.06 111.6 5.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.761 -171.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.607 HG21 ' HB ' ' A' ' 32' ' ' VAL . 1.3 m -84.87 110.52 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 168.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -75.05 129.56 37.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.415 -172.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.75 141.4 37.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.426 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -79.25 -64.35 1.21 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 175.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.481 ' HZ3' ' CG ' ' A' ' 88' ' ' ASP . 21.1 mmtt -99.2 108.48 50.09 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.368 169.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.424 ' HB3' ' HA ' ' A' ' 30' ' ' ASN . 57.3 Cg_endo -70.29 166.66 27.53 Favored 'Trans proline' 0 CA--C 1.528 0.22 0 C-N-CA 123.433 2.755 . . . . 0.0 113.212 -176.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.461 HG21 ' HG3' ' A' ' 72' ' ' ARG . 46.0 t -104.39 132.86 50.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.594 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.8 m -102.67 110.25 22.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.879 0.371 . . . . 0.0 111.038 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.437 ' CG1' ' HE2' ' A' ' 29' ' ' PHE . 29.2 mm -111.48 114.34 46.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.24 177.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.5 p -90.49 123.4 34.15 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.66 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.2 mt -82.95 176.57 9.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.642 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -58.41 -28.96 65.72 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.058 0.456 . . . . 0.0 111.686 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -75.33 -2.46 28.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.337 -177.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.31 26.44 57.39 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.519 -176.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.409 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -105.88 110.58 64.24 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 120.715 0.293 . . . . 0.0 110.546 -178.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 4.8 Cg_exo -78.98 107.92 2.31 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 123.374 2.716 . . . . 0.0 112.183 178.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -88.03 122.42 31.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.68 174.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.1 mt -104.52 109.23 26.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.761 -178.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.585 ' HD1' ' HG2' ' A' ' 34' ' ' GLU . 35.5 m-85 -90.45 111.6 22.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.594 -175.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.424 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 34.1 m-80 -95.4 8.35 43.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.754 -177.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -147.08 141.38 9.33 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 176.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.607 ' HB ' HG21 ' A' ' 11' ' ' VAL . 57.3 t -61.91 -37.22 77.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 117.057 0.428 . . . . 0.0 110.93 -177.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -60.43 -36.7 78.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.857 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.585 ' HG2' ' HD1' ' A' ' 29' ' ' PHE . 85.2 tt0 -63.48 -40.73 97.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.931 0.396 . . . . 0.0 110.303 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.538 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -66.63 -44.64 81.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.353 176.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.431 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 92.9 t80 -58.32 -45.6 87.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.654 178.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -60.76 -47.37 86.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.404 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -56.98 -44.95 83.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.556 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.1 mt -60.61 -30.58 69.92 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.833 -177.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -96.9 -8.86 29.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.814 0.34 . . . . 0.0 111.569 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -93.14 -69.36 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.889 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -144.15 77.31 1.54 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.917 0.389 . . . . 0.0 111.63 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.429 ' C ' ' H ' ' A' ' 45' ' ' ALA . 61.9 t-105 -82.23 121.65 78.8 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 170.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 43' ' ' TRP . 17.2 Cg_exo -69.2 36.71 0.21 Allowed 'Trans proline' 0 N--CA 1.481 0.776 0 C-N-CA 123.479 2.786 . . . . 0.0 113.637 -178.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.429 ' H ' ' C ' ' A' ' 43' ' ' TRP . . . -169.36 172.96 6.86 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -75.77 -82.36 0.07 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 172.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.878 ' HA3' ' HB2' ' A' ' 51' ' ' HIS . . . 124.71 -49.17 0.92 Allowed Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.727 171.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.541 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 9.8 m-20 51.9 -120.66 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.905 0.415 . . . . 0.0 110.649 -177.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -56.86 -45.18 82.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.673 0.273 . . . . 0.0 110.864 -178.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.38 84.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -176.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.878 ' HB2' ' HA3' ' A' ' 47' ' ' GLY . 57.9 t-80 -71.19 -44.81 64.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.268 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.614 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 11.0 mm-40 -68.95 -45.34 71.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.865 -177.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.471 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 92.6 mt-30 -56.37 -44.15 79.88 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-O 120.545 0.212 . . . . 0.0 110.757 176.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.3 -45.57 84.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.025 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.1 mt -61.72 -43.64 98.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.649 178.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.614 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 73.9 mtp180 -63.75 -39.71 94.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.855 -179.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 83.2 mt -65.21 -42.27 93.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.763 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.431 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 75.3 m -64.41 -38.95 92.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.507 177.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' A' ' 63' ' ' MET . 39.0 mtp85 -67.69 -38.51 83.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.98 179.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.48 -34.33 75.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.149 0.499 . . . . 0.0 110.562 176.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.476 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 19.8 m -68.53 -37.8 80.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.41 177.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 88.9 mt -73.09 -6.67 47.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.077 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.462 ' HG3' ' O ' ' A' ' 59' ' ' ARG . 66.7 mtt -98.86 -20.63 16.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.817 178.052 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.79 5.19 55.38 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.885 -175.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -78.25 -32.37 49.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.42 0.628 . . . . 0.0 109.466 177.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 61' ' ' SER . 48.5 t -125.58 131.77 71.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.306 175.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.54 -30.83 61.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.296 0.57 . . . . 0.0 110.481 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 135.42 -24.92 3.33 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.802 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -47.98 77.22 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.796 0.331 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 71.7 mt -66.14 -40.6 87.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.003 0.43 . . . . 0.0 109.962 177.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.9 93.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.978 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.461 ' HG3' HG21 ' A' ' 17' ' ' VAL . 41.1 ttp180 -62.12 -49.39 76.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.985 0.421 . . . . 0.0 110.55 178.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.6 m -61.57 -41.95 98.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.812 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.85 -35.07 74.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.97 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -62.86 -43.96 97.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.342 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.439 ' O ' ' HG3' ' A' ' 80' ' ' ARG . 91.6 t -62.48 -39.91 86.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.074 177.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.73 -37.55 87.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.97 178.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.0 -35.32 64.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.898 0.38 . . . . 0.0 110.878 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 t -66.68 -20.85 66.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.086 0.469 . . . . 0.0 110.274 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.874 ' HG2' HD11 ' A' ' 85' ' ' LEU . 86.5 mtt180 -62.67 -36.26 82.3 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.064 174.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -73.13 -27.13 61.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.118 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.68 -6.32 58.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.896 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 65.29 42.52 3.91 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.811 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.7 t -147.87 92.6 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.158 0.504 . . . . 0.0 109.862 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.874 HD11 ' HG2' ' A' ' 80' ' ' ARG . 90.5 mt -113.89 126.34 55.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.784 178.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 85.8 mmm -127.09 133.53 50.42 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.255 172.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -94.4 164.54 12.97 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.775 -177.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.481 ' CG ' ' HZ3' ' A' ' 15' ' ' LYS . 32.5 t70 -69.64 159.56 33.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.993 178.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -79.6 9.45 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -175.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.79 141.97 58.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.923 0.392 . . . . 0.0 110.422 174.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -85.7 19.32 2.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.414 0.626 . . . . 0.0 110.6 -178.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.95 86.62 0.93 Allowed Pre-proline 0 C--N 1.315 -0.892 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.559 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.96 -29.76 91.42 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 123.033 2.488 . . . . 0.0 112.46 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -78.81 99.5 6.74 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.5 p -91.07 171.5 9.21 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.216 -177.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 27.3 mm -83.76 62.28 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.563 0.697 . . . . 0.0 109.968 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -159.89 116.65 2.53 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.164 -0.926 . . . . 0.0 109.137 178.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.7 t -140.59 153.1 45.96 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.486 -175.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.83 173.12 44.91 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.995 -0.622 . . . . 0.0 112.051 -179.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 40.5 m . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.825 -0.607 . . . . 0.0 109.893 178.353 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.9 mtp . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 121.058 0.456 . . . . 0.0 110.736 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -96.74 -28.44 14.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.106 0.479 . . . . 0.0 110.087 -176.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.1 t -73.07 -44.02 57.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.529 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 63.34 82.0 0.19 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.493 -176.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 p -94.52 158.45 15.54 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.965 177.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 88.6 mtp -118.49 148.37 42.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.97 0.414 . . . . 0.0 111.198 -176.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 65.1 tp -110.93 111.11 22.02 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 175.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.465 ' HB3' HD12 ' A' ' 62' ' ' LEU . 3.2 mm? -95.6 129.24 42.85 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -176.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -77.3 132.09 38.45 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -74.32 93.27 2.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.332 0.586 . . . . 0.0 110.494 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.2 t -80.51 115.84 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 174.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.626 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 57.0 mttp -86.52 154.12 21.33 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.329 0.585 . . . . 0.0 112.083 -173.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.88 151.01 34.05 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.855 -175.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -89.42 -35.14 16.19 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 174.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.491 ' HE2' ' OE1' ' A' ' 69' ' ' GLU . 33.8 mttm -119.86 99.01 49.41 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.239 -0.891 . . . . 0.0 108.631 169.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.28 146.95 87.11 Favored 'Trans proline' 0 N--CA 1.474 0.34 0 C-N-CA 123.223 2.616 . . . . 0.0 113.233 -174.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.47 HG23 ' HG3' ' A' ' 72' ' ' ARG . 47.3 t -100.63 130.72 49.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.493 -178.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.0 m -109.77 106.9 16.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.883 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.474 ' O ' ' HA ' ' A' ' 26' ' ' PRO . 8.1 tp -89.04 114.12 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -179.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.63 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 16.9 t -83.84 98.93 10.0 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.056 -177.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.1 mt -82.45 130.24 35.07 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 175.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -44.64 -55.23 5.4 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.842 0.714 . . . . 0.0 111.922 -174.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -116.16 1.18 13.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.559 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.8 -2.34 55.18 Favored Glycine 0 C--O 1.236 0.238 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.505 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 74.72 150.64 0.13 Allowed Pre-proline 0 N--CA 1.468 0.436 0 C-N-CA 123.52 0.728 . . . . 0.0 112.098 176.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.63 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 27.4 Cg_exo -62.96 103.78 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.031 2.488 . . . . 0.0 111.477 173.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -99.85 137.96 37.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.605 -178.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.5 mt -96.1 123.31 48.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.929 -174.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -88.58 118.81 28.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.131 175.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -82.37 -38.86 23.56 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.527 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.626 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -125.82 155.11 18.96 Favored Glycine 0 N--CA 1.443 -0.881 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.542 -177.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.496 HG11 ' HB2' ' A' ' 61' ' ' SER . 45.1 t -66.44 -30.95 51.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.033 0.444 . . . . 0.0 109.901 178.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -67.84 -36.47 80.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.761 176.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -64.39 -37.64 88.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.447 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.476 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -69.38 -47.22 64.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.478 175.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -55.43 -42.47 74.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.538 177.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -59.8 -46.49 89.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.886 177.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -61.07 -40.62 94.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.995 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.0 mt -60.37 -37.96 82.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.578 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -85.41 -15.38 43.25 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -75.54 -64.33 1.09 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 174.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -174.84 92.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.172 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -73.98 136.26 76.62 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.679 171.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -61.84 109.8 0.86 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.898 2.399 . . . . 0.0 112.887 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 89.86 175.99 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.93 1.292 . . . . 0.0 111.251 177.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -134.34 -175.87 4.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.298 -174.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 164.82 -98.39 0.15 Allowed Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 175.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.492 ' CG ' ' H ' ' A' ' 49' ' ' ARG . 36.7 p-10 -172.44 -79.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.648 0.261 . . . . 0.0 111.151 177.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.492 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 3.9 mtt180 -76.87 -25.75 53.44 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.507 -170.148 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.4 -37.32 85.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.247 0.546 . . . . 0.0 110.106 175.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -79.14 -40.61 30.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.674 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -62.16 -53.5 54.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.973 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -64.87 -36.39 84.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.054 -177.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.13 -47.39 81.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.874 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.21 -42.55 88.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.81 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 66.2 mtt85 -61.98 -46.46 89.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.276 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.89 -39.3 90.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.924 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.572 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 75.0 m -63.97 -44.97 91.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.739 0.304 . . . . 0.0 110.365 176.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -58.45 -48.89 79.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.796 178.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.95 -36.82 77.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.113 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.496 ' HB2' HG11 ' A' ' 32' ' ' VAL . 22.6 m -66.55 -41.98 87.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.379 177.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 71.3 mt -71.4 -15.55 62.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.886 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 85.1 mtp -97.73 5.62 49.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.803 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.55 8.23 87.72 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.211 -0.519 . . . . 0.0 113.348 176.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -88.94 -21.02 23.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.944 0.402 . . . . 0.0 110.708 -177.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.1 t -124.76 136.73 59.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.519 175.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.68 -32.13 65.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.35 . . . . 0.0 111.483 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 137.27 -47.98 0.93 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.114 -1.041 . . . . 0.0 113.232 174.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.491 ' OE1' ' HE2' ' A' ' 15' ' ' LYS . 36.9 mt-10 -63.03 -29.75 71.06 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -175.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 72.1 mt -57.85 -45.38 87.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.129 0.49 . . . . 0.0 110.107 174.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.85 -30.48 65.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.524 178.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.47 ' HG3' HG23 ' A' ' 17' ' ' VAL . 11.9 ttt85 -60.79 -54.11 49.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 177.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.5 m -63.7 -35.0 79.11 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.109 0.481 . . . . 0.0 110.816 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.03 -30.97 65.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.194 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -62.32 -43.01 99.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.213 0.53 . . . . 0.0 109.63 178.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 82.9 t -63.39 -39.82 86.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.424 176.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.87 -39.76 94.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.937 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.85 -32.31 72.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.005 0.431 . . . . 0.0 110.733 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.0 m -69.23 -13.13 62.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.066 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -68.38 -34.47 76.09 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.187 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -65.58 -34.57 78.55 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.111 0.481 . . . . 0.0 110.371 178.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.52 -13.19 57.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.357 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 61.75 20.41 11.37 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.444 -177.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.2 t -103.43 60.79 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.314 0.578 . . . . 0.0 110.386 -173.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.0 mt -88.43 140.47 29.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.317 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.7 ttp -66.4 -40.55 89.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.583 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -66.62 130.41 43.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.001 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -60.12 -25.2 65.28 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.731 -171.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -51.35 -44.74 62.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.717 174.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 55.25 -98.16 0.08 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.653 -174.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -142.09 106.27 4.78 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.56 129.78 76.04 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.627 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.26 -7.08 20.33 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.672 2.248 . . . . 0.0 112.487 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -141.37 143.64 34.09 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.0 m -68.75 -61.47 1.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.912 0.387 . . . . 0.0 111.865 -175.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 13.5 tt -88.97 153.75 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.287 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.48 121.35 26.65 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.5 m -64.31 132.58 50.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.391 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 122.35 0.49 10.35 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -175.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.363 -0.827 . . . . 0.0 109.996 179.763 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.551 ' SD ' HD21 ' A' ' 8' ' ' LEU . 55.3 ttm . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 121.045 0.45 . . . . 0.0 110.025 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.556 ' HG2' HG11 ' A' ' 3' ' ' VAL . 43.4 tt0 -63.38 -55.25 25.92 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.252 -177.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.556 HG11 ' HG2' ' A' ' 2' ' ' GLU . 27.7 m -127.0 158.85 37.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.183 -179.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.45 ' HG2' ' SD ' ' A' ' 1' ' ' MET . 87.8 mt-30 -112.52 115.15 28.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.024 0.44 . . . . 0.0 110.562 -179.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 t -89.74 -179.45 5.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.259 -178.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 66.6 mtm -73.28 -7.93 53.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.862 0.363 . . . . 0.0 110.929 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 76.9 mt -73.96 -3.34 28.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.842 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.551 HD21 ' SD ' ' A' ' 1' ' ' MET . 8.9 mp -95.67 7.5 46.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.08 0.467 . . . . 0.0 110.505 176.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -90.0 142.04 28.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.842 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.06 107.26 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 174.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.0 t -82.5 111.43 18.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.55 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 87.2 tttt -67.24 136.27 54.7 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.127 -175.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.73 144.21 55.54 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.861 175.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -58.41 -44.16 88.94 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.452 ' HD2' ' HA ' ' A' ' 15' ' ' LYS . 7.7 tptm -131.56 108.75 14.57 Favored Pre-proline 0 N--CA 1.446 -0.639 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.723 171.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -49.51 151.7 6.94 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 124.232 3.288 . . . . 0.0 113.937 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.3 t -105.87 139.17 27.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.972 -176.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.8 m -101.1 117.83 35.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.667 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.1 mm -105.34 125.6 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.471 177.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.9 m -86.47 96.63 10.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.006 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.404 ' C ' ' H ' ' A' ' 23' ' ' ASN . 89.0 mt -63.91 149.36 47.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.342 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -70.41 8.93 0.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.863 -178.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.404 ' H ' ' C ' ' A' ' 21' ' ' LEU . 15.3 m120 -109.06 9.66 26.26 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 176.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.42 50.03 8.67 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.0 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -140.94 114.58 7.09 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.708 0.29 . . . . 0.0 111.48 -177.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.88 94.36 1.06 Allowed 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 123.105 2.537 . . . . 0.0 111.627 175.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -90.11 116.63 28.27 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.018 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.4 mt -98.9 120.91 48.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.317 -177.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -95.91 120.7 36.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.253 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -80.08 -45.35 18.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.125 0.488 . . . . 0.0 109.861 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.55 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -111.7 160.4 13.23 Favored Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.915 -174.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.495 HG13 ' HB3' ' A' ' 61' ' ' SER . 61.8 t -67.44 -32.46 57.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.401 -0.4 . . . . 0.0 111.072 -178.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -73.13 -36.8 66.77 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.169 -177.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -57.25 -46.46 83.01 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.135 0.493 . . . . 0.0 110.127 177.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.52 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -67.18 -46.45 73.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.849 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.472 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 49.1 t80 -57.76 -43.14 85.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.96 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -66.61 -43.48 84.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.584 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.73 -43.4 94.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.317 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.3 mt -58.17 -29.33 65.52 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.461 -178.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -88.93 -34.36 16.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.286 -177.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -75.11 -73.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.127 -178.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -140.08 76.97 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.209 0.528 . . . . 0.0 112.036 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -86.74 123.09 71.23 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 168.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -34.75 -64.72 0.14 Allowed 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 124.352 3.368 . . . . 0.0 114.494 -174.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.29 110.03 8.1 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 74.2 mtt85 -51.17 -81.61 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.734 0.646 . . . . 0.0 112.074 -174.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.52 -98.25 0.56 Allowed Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 120.159 -1.02 . . . . 0.0 112.973 174.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -168.96 -143.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.348 -0.426 . . . . 0.0 109.954 -173.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -51.7 -33.35 33.92 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 122.981 0.512 . . . . 0.0 111.43 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.94 -35.9 77.95 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.829 0.347 . . . . 0.0 111.469 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -74.89 -38.29 61.91 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -66.21 -38.72 88.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.044 178.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.507 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 26.5 tt0 -56.39 -49.94 73.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.657 175.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.41 -38.2 76.89 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.002 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.83 -48.84 72.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.59 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 56' ' ' ARG . 52.7 mtm-85 -61.88 -41.83 98.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.315 -179.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 92.7 mt -56.52 -50.35 72.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.837 178.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.472 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 57.1 m -67.74 -41.73 82.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.629 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -61.48 -46.53 89.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.977 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.401 ' HB1' ' HB3' ' A' ' 65' ' ' ASP . . . -76.93 -23.75 52.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.41 -178.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.495 ' HB3' HG13 ' A' ' 32' ' ' VAL . 14.5 t -67.74 -38.09 83.03 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.9 mt -68.5 -27.04 65.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.228 0.537 . . . . 0.0 110.452 177.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 51.4 ttm -79.62 -9.36 59.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.398 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.65 10.16 73.63 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.21 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.401 ' HB3' ' HB1' ' A' ' 60' ' ' ALA . 36.5 t70 -85.16 -48.91 8.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.055 0.455 . . . . 0.0 110.212 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.1 t -88.66 127.72 41.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.668 175.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.07 20.44 0.14 Allowed 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -175.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.02 -55.23 3.52 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 121.175 -0.536 . . . . 0.0 113.582 175.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -56.23 -47.9 77.55 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.555 0.342 . . . . 0.0 111.372 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 62.3 mt -59.88 -38.4 76.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.854 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.21 -37.5 87.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.837 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.9 ttm105 -61.79 -50.3 72.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.816 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.9 m -59.95 -48.64 80.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.309 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.46 -25.07 61.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.36 -177.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -64.87 -49.75 69.31 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 175.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.436 ' O ' ' HG3' ' A' ' 80' ' ' ARG . 93.8 t -61.41 -43.59 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.155 177.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.41 -39.2 75.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.405 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.0 -39.61 63.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.108 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.6 p -69.0 -12.53 61.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.805 -178.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.569 ' HG2' HD13 ' A' ' 85' ' ' LEU . 82.7 mtt-85 -65.3 -33.04 75.04 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.778 0.323 . . . . 0.0 110.2 177.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -62.57 -40.35 96.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.766 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.27 -8.06 58.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 61.25 25.91 15.83 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.98 -177.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.8 t -89.13 26.0 1.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.78 0.8 . . . . 0.0 109.571 -178.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.569 HD13 ' HG2' ' A' ' 80' ' ' ARG . 88.4 mt -76.2 154.17 35.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.997 -174.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 7.2 tmm? -122.46 95.3 4.58 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 166.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -163.48 -62.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.149 0.499 . . . . 0.0 110.71 -170.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -97.5 140.41 31.97 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.08 176.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -74.82 -52.78 10.5 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.925 178.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 174.41 25.49 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.523 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -128.23 27.67 5.59 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.001 0.429 . . . . 0.0 111.433 -167.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.97 115.24 38.39 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.215 175.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.87 11.75 1.62 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.753 2.302 . . . . 0.0 112.694 -175.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -82.07 -43.95 17.21 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.138 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 36.7 p -121.18 114.15 21.0 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.496 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.473 HG22 ' H ' ' A' ' 98' ' ' SER . 56.3 mt -125.84 145.39 33.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.49 -178.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -53.01 -39.48 63.15 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.957 0.408 . . . . 0.0 110.712 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.473 ' H ' HG22 ' A' ' 96' ' ' ILE . 14.6 m -88.04 105.92 17.8 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 173.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -66.24 -44.31 91.14 Favored Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 116.107 -0.497 . . . . 0.0 113.821 -172.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.71 -0.662 . . . . 0.0 110.297 -177.002 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.1 mtp . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 120.643 0.259 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -60.64 114.45 3.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.486 -173.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.9 m -101.42 147.4 8.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 170.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -81.62 71.71 8.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.75 0.786 . . . . 0.0 110.611 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -152.79 103.41 2.77 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.014 176.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 59.2 mtm -81.55 151.62 27.64 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.806 -175.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.4 tp -81.21 -36.99 29.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.531 175.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.6 tp -99.1 116.08 30.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.637 177.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.411 ' O ' HD23 ' A' ' 62' ' ' LEU . 28.9 m-80 -129.92 121.95 27.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.501 -176.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -92.9 102.28 14.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.146 0.498 . . . . 0.0 109.888 175.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.0 t -89.96 134.75 28.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -177.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.532 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 13.4 mptt -86.89 150.41 24.12 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.877 -178.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.06 158.51 21.41 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.575 178.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -80.91 -59.67 2.58 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 175.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.2 mmtm -93.71 129.2 39.0 Favored Pre-proline 0 N--CA 1.45 -0.461 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.728 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.16 143.3 99.54 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 123.198 2.598 . . . . 0.0 112.804 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.448 HG23 ' HG3' ' A' ' 72' ' ' ARG . 61.8 t -109.32 109.61 29.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.238 179.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.9 m -98.86 112.4 24.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.181 -177.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.1 mm -99.76 115.34 40.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.272 177.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.411 ' HB3' ' HG2' ' A' ' 86' ' ' MET . 5.4 p -89.37 94.76 10.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.135 0.493 . . . . 0.0 110.397 177.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.0 mt -75.88 162.67 27.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.801 -178.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -75.57 8.44 2.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.092 -172.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -92.24 -5.34 52.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.656 173.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.61 46.59 7.23 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -174.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.97 112.28 10.42 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.681 0.277 . . . . 0.0 110.851 -177.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -82.11 94.08 0.91 Allowed 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.721 2.28 . . . . 0.0 111.526 174.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -89.04 114.9 26.16 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.142 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.3 mt -96.54 116.69 39.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.273 -178.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -87.25 149.9 24.26 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.686 -178.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -115.59 -33.99 5.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.455 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.532 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -110.71 158.19 14.54 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.152 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.513 HG13 ' HB3' ' A' ' 61' ' ' SER . 44.9 t -79.35 -36.43 17.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.611 0.244 . . . . 0.0 111.074 -179.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -73.97 -37.37 64.51 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.827 -176.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -63.85 -28.38 69.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.873 0.368 . . . . 0.0 110.396 176.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.519 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -75.84 -43.62 44.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.198 174.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.445 ' HA ' HD13 ' A' ' 39' ' ' LEU . 90.3 t80 -55.62 -46.17 77.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.762 175.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.53 -42.75 99.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.551 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -57.9 -46.33 85.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.791 176.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 84.2 mt -57.35 -41.82 80.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.631 -178.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -67.6 -44.06 79.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.236 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -75.66 -44.45 42.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.887 -173.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -158.8 77.89 0.76 Allowed 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.004 -0.678 . . . . 0.0 112.335 -175.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.485 ' HB2' ' HA ' ' A' ' 39' ' ' LEU . 65.6 t-105 -108.73 119.94 47.65 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 168.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -45.63 -34.91 12.07 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.861 3.041 . . . . 0.0 113.982 -175.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.31 101.21 9.63 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 175.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 46' ' ' ARG . 52.3 mtt85 -99.3 83.02 2.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.597 -173.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.92 -23.41 6.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 119.674 -1.25 . . . . 0.0 114.406 170.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -69.24 163.49 24.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.97 0.414 . . . . 0.0 111.2 -173.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.493 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 0.9 OUTLIER -52.39 -36.28 53.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.879 175.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.03 -37.19 71.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.033 0.444 . . . . 0.0 110.547 177.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -71.52 -46.79 58.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.707 177.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -59.36 -47.08 86.76 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.809 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 49' ' ' ARG . 89.9 mt-30 -60.37 -48.0 83.65 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.711 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.26 -50.03 62.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.387 -177.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.3 -49.08 73.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.531 -179.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -68.55 -37.65 80.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.184 -173.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.0 mt -69.71 -38.12 76.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.868 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.6 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 89.4 m -63.05 -41.73 99.55 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 175.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.448 ' O ' ' HG3' ' A' ' 63' ' ' MET . 39.8 ttm180 -62.38 -44.36 96.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.744 176.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.43 -28.05 69.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.065 0.459 . . . . 0.0 110.743 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.513 ' HB3' HG13 ' A' ' 32' ' ' VAL . 14.0 t -72.58 -42.01 65.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.826 175.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 60.1 mt -62.18 -38.58 89.6 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.493 177.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.448 ' HG3' ' O ' ' A' ' 59' ' ' ARG . 93.2 mtp -69.66 -19.53 63.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.898 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.25 23.16 10.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.972 -0.633 . . . . 0.0 113.286 175.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -104.37 -40.02 6.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.427 -0.455 . . . . 0.0 111.128 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.4 t -94.35 115.31 32.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 176.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.51 91.55 4.96 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -174.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.18 -87.83 0.03 OUTLIER Glycine 0 CA--C 1.522 0.49 0 N-CA-C 115.043 0.777 . . . . 0.0 115.043 168.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -52.27 -43.91 64.67 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.553 0.741 . . . . 0.0 112.352 -171.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.1 mp -61.12 -45.26 98.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.973 0.416 . . . . 0.0 110.513 -178.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.57 -38.83 84.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.94 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.469 ' O ' HG23 ' A' ' 76' ' ' VAL . 37.9 ttp180 -61.96 -47.81 83.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.624 -178.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 m -65.49 -41.16 93.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.255 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.68 -35.03 78.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.778 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.462 ' CZ ' HD23 ' A' ' 39' ' ' LEU . 5.3 t80 -63.39 -47.55 81.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.712 177.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 72' ' ' ARG . 86.5 t -60.35 -38.03 76.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.983 178.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.01 -34.96 75.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.9 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.55 -42.87 58.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.283 176.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.4 m -60.9 -28.35 68.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.405 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.519 ' HG2' HD13 ' A' ' 85' ' ' LEU . 57.8 mtp180 -59.23 -43.28 92.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.9 0.381 . . . . 0.0 111.333 177.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -73.96 -17.7 60.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.803 -176.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.6 -10.45 25.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.429 175.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 65.33 30.14 11.23 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.233 -178.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 66.0 m -103.86 66.35 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.407 0.622 . . . . 0.0 109.862 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.519 HD13 ' HG2' ' A' ' 80' ' ' ARG . 88.8 mt -108.31 140.69 41.22 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.549 -175.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.508 ' HE3' ' HA ' ' A' ' 90' ' ' ALA . 8.9 mmm -149.32 178.22 8.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.846 176.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.04 178.22 7.19 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -177.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -62.14 -38.87 90.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.302 0.572 . . . . 0.0 110.151 175.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -86.62 134.13 33.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.944 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.508 ' HA ' ' HE3' ' A' ' 86' ' ' MET . . . -73.02 166.08 23.77 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -171.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -73.73 127.87 33.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.763 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -115.27 110.07 45.79 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.588 -177.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.93 -73.36 0.02 OUTLIER 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 123.208 2.605 . . . . 0.0 113.416 -175.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -113.08 138.46 49.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.785 0.326 . . . . 0.0 110.872 -175.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.7 m -133.36 158.41 43.08 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.1 pt -91.15 -178.64 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.832 0.348 . . . . 0.0 111.235 -177.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -94.69 129.29 41.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.065 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.2 t -136.0 145.35 46.02 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.569 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -144.42 -46.38 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.126 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--O 1.251 1.163 0 CA-C-O 118.519 -0.753 . . . . 0.0 109.877 179.922 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.1 mtt . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.979 0.419 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -131.08 107.82 9.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.185 -178.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.698 HG12 ' HG3' ' A' ' 4' ' ' GLN . 41.7 t -72.5 122.28 24.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.988 -174.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.698 ' HG3' HG12 ' A' ' 3' ' ' VAL . 87.8 mt-30 66.86 26.95 9.19 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.993 177.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 p -59.73 135.0 57.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.587 178.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 85.7 mtp -73.0 152.51 41.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.782 -174.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 73.5 mt -81.15 125.89 30.8 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.146 -175.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.8 mt -87.99 95.06 9.98 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 173.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -77.51 150.01 34.91 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.605 -175.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -78.54 97.97 5.94 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 177.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.3 t -106.57 139.57 27.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.13 -178.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.513 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 58.1 mttp -95.25 153.71 17.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.072 0.463 . . . . 0.0 111.176 179.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.43 141.05 29.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.611 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -70.71 -40.91 72.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.243 0.544 . . . . 0.0 110.008 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.552 ' HB2' ' HD2' ' A' ' 72' ' ' ARG . 74.5 mmtt -109.7 122.77 38.25 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.122 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 15' ' ' LYS . 15.9 Cg_exo -67.81 142.81 58.91 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.794 2.329 . . . . 0.0 112.631 -179.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.7 t -118.15 122.76 70.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.478 175.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.639 ' HB ' ' HG2' ' A' ' 86' ' ' MET . 23.6 m -108.01 96.21 6.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.22 0.533 . . . . 0.0 110.774 -176.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.424 ' CG1' ' HE2' ' A' ' 29' ' ' PHE . 16.0 mm -88.75 104.52 14.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -176.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.739 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 0.5 OUTLIER -86.73 99.82 12.05 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.847 177.634 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.6 mt -76.42 168.15 20.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.586 -174.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -66.1 -11.15 46.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.642 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -70.21 -14.07 62.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.394 175.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.51 31.17 11.86 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.112 -0.566 . . . . 0.0 112.499 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -144.47 119.61 5.99 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.667 0.27 . . . . 0.0 111.472 -178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.739 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 6.8 Cg_exo -75.65 110.16 3.04 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 123.288 2.658 . . . . 0.0 112.089 173.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -95.05 114.86 26.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.215 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.732 HD11 ' HE3' ' A' ' 89' ' ' LYS . 48.7 mt -85.17 119.9 34.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.401 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.424 ' HE2' ' CG1' ' A' ' 19' ' ' ILE . 66.0 m-85 -100.12 109.47 21.75 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.891 176.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -100.55 -10.7 20.76 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 175.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.513 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -115.18 133.7 11.14 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 175.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.482 HG12 ' HB2' ' A' ' 61' ' ' SER . 37.7 t -69.21 -35.74 69.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.966 0.412 . . . . 0.0 110.605 -177.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -66.09 -36.85 84.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.386 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.415 ' OE2' ' HA3' ' A' ' 31' ' ' GLY . 14.0 mt-10 -62.58 -40.98 98.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.839 177.158 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.471 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -72.3 -34.93 68.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 178.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -57.09 -51.59 68.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.56 177.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.97 -40.66 96.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.837 177.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -57.84 -46.06 85.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.046 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 97.6 mt -63.1 -36.28 83.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.53 -179.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -78.71 -36.69 43.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.798 -178.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -62.37 -67.25 0.43 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.69 -176.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -164.64 89.57 0.51 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.288 0.566 . . . . 0.0 111.934 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.433 ' C ' ' H ' ' A' ' 45' ' ' ALA . 65.8 t-105 -85.74 136.51 36.75 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 164.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.4 14.54 0.14 Allowed 'Trans proline' 0 N--CA 1.479 0.624 0 C-N-CA 123.091 2.527 . . . . 0.0 114.18 -176.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' A' ' 43' ' ' TRP . . . -162.4 70.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.277 0.56 . . . . 0.0 109.501 177.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.7 ptt-85 -104.2 138.52 40.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.502 -177.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.81 -18.18 7.15 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 -176.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -87.14 145.71 26.32 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.301 -0.449 . . . . 0.0 110.51 -177.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -71.71 -17.18 62.23 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -173.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.52 -40.42 23.2 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -59.91 -37.03 78.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.88 171.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -77.11 -31.6 55.95 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.522 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -54.54 -47.19 73.47 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 174.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.46 -44.35 87.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.588 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.5 tp -59.95 -45.53 92.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.241 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -61.51 -40.62 95.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.643 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.449 HD11 ' HB3' ' A' ' 74' ' ' ALA . 80.5 mt -69.47 -35.68 75.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.012 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.644 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 71.9 m -60.02 -43.29 95.38 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 176.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.7 ttt180 -62.73 -45.56 92.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.0 176.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.89 -27.41 67.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.498 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.482 ' HB2' HG12 ' A' ' 32' ' ' VAL . 49.6 m -69.36 -36.99 77.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.915 0.388 . . . . 0.0 109.98 176.06 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 41.1 mt -68.52 -20.38 64.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.535 0.683 . . . . 0.0 109.832 177.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 76.4 mtp -88.65 -1.93 58.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.438 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.75 19.31 77.97 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.384 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -95.13 -33.19 12.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.13 0.49 . . . . 0.0 110.765 -176.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.488 HG13 ' HB ' ' A' ' 70' ' ' ILE . 93.2 t -111.04 110.59 32.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.091 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.47 89.7 7.77 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -175.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.48 -93.96 0.07 OUTLIER Glycine 0 CA--C 1.523 0.539 0 N-CA-C 115.539 0.976 . . . . 0.0 115.539 166.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.447 ' HG3' ' HD3' ' A' ' 72' ' ' ARG . 38.4 tt0 -58.37 -29.14 65.78 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -169.096 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.488 ' HB ' HG13 ' A' ' 66' ' ' VAL . 59.7 mt -60.63 -51.17 76.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.292 0.567 . . . . 0.0 109.964 177.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.02 85.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.09 176.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.552 ' HD2' ' HB2' ' A' ' 15' ' ' LYS . 16.7 ttt180 -55.49 -51.21 67.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.7 176.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 m -54.43 -46.76 73.3 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.973 -177.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.449 ' HB3' HD11 ' A' ' 57' ' ' LEU . . . -76.41 -30.92 57.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.621 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -64.5 -42.42 95.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.107 0.48 . . . . 0.0 109.783 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 72' ' ' ARG . 95.9 t -64.15 -39.17 84.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.056 176.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.52 -43.29 89.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.955 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.18 -38.85 82.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.99 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.5 m -69.24 -20.19 63.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.064 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -58.74 -36.54 74.49 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.038 0.447 . . . . 0.0 110.558 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -71.53 -16.43 62.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.105 -177.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.68 -4.89 58.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.237 176.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 59.8 m80 60.99 26.94 16.86 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.441 177.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.5 t -140.38 87.32 2.13 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.8 mt -97.44 122.71 40.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.632 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.639 ' HG2' ' HB ' ' A' ' 18' ' ' THR . 49.1 ttm -159.36 98.46 1.41 Allowed 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.673 -178.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -87.05 -66.33 0.92 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 176.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -90.66 153.73 20.08 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.846 -1.07 . . . . 0.0 108.792 170.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.732 ' HE3' HD11 ' A' ' 28' ' ' ILE . 87.4 mttt -74.7 165.51 25.11 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.122 0.487 . . . . 0.0 111.36 -178.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -84.41 -8.47 58.96 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 170.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.408 ' H ' ' HB3' ' A' ' 89' ' ' LYS . 14.3 mt-10 -82.51 97.05 8.23 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.006 173.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -115.42 102.4 54.43 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 120.802 0.334 . . . . 0.0 111.298 -174.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -71.54 -15.32 30.75 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.84 2.36 . . . . 0.0 111.169 174.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -78.64 78.16 5.1 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.843 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 p -103.63 132.93 49.45 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.922 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 61.1 mt -87.33 119.69 35.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.809 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -87.65 87.84 7.5 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.924 0.392 . . . . 0.0 110.3 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.9 m -71.11 100.11 1.98 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.005 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -163.75 128.74 1.88 Allowed Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.257 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.086 178.155 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.5 mtm . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 121.2 0.524 . . . . 0.0 109.91 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -137.51 -166.54 1.96 Allowed 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 -178.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 66.8 t -67.77 -31.98 54.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.077 0.465 . . . . 0.0 109.864 175.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -55.18 -68.13 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.662 175.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 m -112.12 109.47 19.2 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 176.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 63.9 mtm -94.03 166.65 12.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.001 -173.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 92.2 mt -85.91 140.24 30.54 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.61 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.551 HD13 ' HE1' ' A' ' 33' ' ' TYR . 87.9 mt -93.7 128.22 39.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.077 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 62' ' ' LEU . 46.2 m-80 -84.32 124.6 31.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.032 0.444 . . . . 0.0 110.641 -177.167 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -80.16 110.07 15.23 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.147 177.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.3 t -103.99 116.33 47.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.38 -177.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -67.98 128.44 36.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.912 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.567 ' HB3' ' HB3' ' A' ' 16' ' ' PRO . 1.0 OUTLIER -89.8 104.07 16.67 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.151 -176.508 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -65.29 -51.53 60.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.27 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' HD2' ' HG2' ' A' ' 69' ' ' GLU . 95.6 mttt -112.88 84.37 6.73 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 174.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.567 ' HB3' ' HB3' ' A' ' 13' ' ' TRP . 98.1 Cg_endo -83.38 -173.45 1.65 Allowed 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.97 2.447 . . . . 0.0 113.194 -170.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.517 HG23 ' HG3' ' A' ' 72' ' ' ARG . 88.8 t -113.73 120.38 63.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.543 178.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.2 m -88.54 94.75 9.98 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 170.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.3 tt -88.8 111.43 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-O 121.56 0.695 . . . . 0.0 110.14 -170.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.517 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 19.2 m -83.6 99.83 10.43 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.788 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.9 mp -61.72 155.91 21.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.213 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.57 -15.19 25.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.194 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -81.55 4.45 21.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.021 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.54 37.2 36.04 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.217 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -133.46 109.51 12.35 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 120.683 0.278 . . . . 0.0 111.17 -177.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.517 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 5.8 Cg_exo -80.44 112.62 2.76 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 123.189 2.593 . . . . 0.0 112.064 176.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -97.62 120.75 38.56 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.367 176.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.5 mt -88.83 118.89 35.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.282 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -77.69 129.03 35.02 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.483 177.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -86.33 -27.24 24.43 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.404 0.621 . . . . 0.0 109.999 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.38 163.99 28.41 Favored Glycine 0 N--CA 1.441 -0.985 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.527 HG12 ' HB3' ' A' ' 61' ' ' SER . 26.1 t -68.0 -30.22 47.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 -177.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.551 ' HE1' HD13 ' A' ' 8' ' ' LEU . 63.8 t80 -66.71 -37.67 85.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 110.254 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -61.17 -36.82 80.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.242 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.581 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -67.3 -49.81 62.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.62 176.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.413 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 90.4 t80 -55.99 -45.54 78.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.916 178.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -65.3 -44.18 88.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.032 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -59.47 -37.12 77.4 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.818 0.342 . . . . 0.0 111.131 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 94.5 mt -64.36 -30.13 71.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.16 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -84.0 -21.62 31.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.628 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -78.8 -73.78 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -146.56 75.79 1.41 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.02 0.438 . . . . 0.0 111.587 -176.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.466 ' CE3' ' HD2' ' A' ' 44' ' ' PRO . 64.0 t-105 -86.46 126.1 65.44 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 170.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.466 ' HD2' ' CE3' ' A' ' 43' ' ' TRP . 55.7 Cg_exo -35.65 -60.61 0.32 Allowed 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 124.256 3.304 . . . . 0.0 114.461 -175.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -115.83 93.98 4.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.926 0.393 . . . . 0.0 111.172 -178.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 43' ' ' TRP . 90.8 mtm180 -97.65 143.56 28.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.076 -179.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.07 -32.49 3.96 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.832 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -90.35 -171.83 3.23 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.502 0.668 . . . . 0.0 111.376 -174.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.8 mtt85 -69.33 -33.21 72.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.73 -176.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.3 -54.38 47.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.019 -178.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.427 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 34.6 t-80 -59.42 -41.76 90.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.776 177.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -63.21 -53.8 47.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.712 -177.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.512 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 86.0 mt-30 -68.8 -31.74 70.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.041 -176.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.37 -38.44 83.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 110.257 175.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 51' ' ' HIS . 94.7 mt -64.17 -48.41 76.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.176 175.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -57.04 -45.61 83.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.214 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 58.3 mt -57.05 -49.79 74.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.561 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 41.3 m -69.12 -41.69 77.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.784 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.1 ttt-85 -59.73 -47.76 84.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.801 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.413 ' HB3' ' HB3' ' A' ' 65' ' ' ASP . . . -65.0 -36.57 84.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.731 178.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.527 ' HB3' HG12 ' A' ' 32' ' ' VAL . 12.6 t -64.6 -32.84 74.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.345 179.188 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 92.6 mt -73.69 -14.95 61.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.178 0.513 . . . . 0.0 110.945 178.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.5 mmm -94.75 -4.48 47.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.81 175.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.52 12.52 64.67 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.391 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.413 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 28.6 t70 -79.77 -34.67 39.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.04 0.448 . . . . 0.0 110.596 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.479 HG12 ' HB ' ' A' ' 70' ' ' ILE . 63.0 t -107.14 132.18 55.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.291 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.68 27.89 0.35 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.19 -57.16 4.03 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.797 175.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HG2' ' HD2' ' A' ' 15' ' ' LYS . 44.4 mt-10 -58.29 -44.41 88.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.753 0.311 . . . . 0.0 111.57 -176.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.479 ' HB ' HG12 ' A' ' 66' ' ' VAL . 71.8 mt -60.62 -35.89 66.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.745 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.79 95.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.647 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.517 ' HG3' HG23 ' A' ' 17' ' ' VAL . 25.5 ttt180 -60.94 -52.88 63.15 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.693 0.282 . . . . 0.0 110.847 178.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.9 m -59.41 -50.05 75.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.351 -176.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.15 -26.92 65.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.361 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.419 ' CE1' HD23 ' A' ' 39' ' ' LEU . 69.4 t80 -68.82 -44.04 74.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.217 178.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 72' ' ' ARG . 73.1 t -61.39 -38.89 81.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.274 178.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.11 94.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.832 177.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.48 -35.74 68.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.778 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.6 m -62.23 -25.26 67.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.028 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.722 ' HG3' HD11 ' A' ' 85' ' ' LEU . 77.3 ttt180 -62.72 -37.39 86.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -71.12 -13.08 61.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.675 -176.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -107.81 2.47 23.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.514 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.2 m80 61.09 21.13 11.56 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.478 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 9.7 t -98.77 62.12 1.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.722 HD11 ' HG3' ' A' ' 80' ' ' ARG . 73.4 mt -103.93 131.5 51.1 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -172.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 52.6 ttp -98.68 133.41 43.05 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 164.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.506 ' C ' ' H ' ' A' ' 89' ' ' LYS . 30.9 mt-10 -69.81 1.77 4.03 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.878 0.695 . . . . 0.0 112.878 -175.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.437 ' HB3' ' O ' ' A' ' 87' ' ' GLU . 21.5 t70 73.43 -33.35 0.26 Allowed 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.173 0.511 . . . . 0.0 110.823 -176.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' A' ' 87' ' ' GLU . 78.7 mttt -59.83 -25.84 65.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.522 178.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.19 -26.67 68.62 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.193 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -143.11 90.75 2.22 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.433 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . . . -82.63 119.5 74.71 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.512 -168.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 92' ' ' ALA . 2.9 Cg_endo -86.11 8.41 4.51 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 123.236 2.624 . . . . 0.0 111.789 174.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -78.43 -4.27 47.48 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.744 -178.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.2 p -62.5 -32.91 73.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.239 178.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 58.8 mt -71.13 -40.55 75.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.469 176.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.01 134.24 48.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.763 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 m -67.94 -53.05 29.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.931 0.396 . . . . 0.0 110.561 -178.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -109.83 121.05 5.9 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.393 -178.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.654 -0.689 . . . . 0.0 109.906 177.872 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.3 mtp . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 120.766 0.317 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -87.88 -31.8 19.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.044 0.449 . . . . 0.0 110.356 178.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.8 t -122.52 113.8 39.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.445 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -80.23 -56.55 4.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.859 179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.0 m -91.88 110.1 21.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.462 -176.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 64.1 mtt -87.68 91.47 8.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.436 176.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 54.1 tp -89.91 136.98 32.72 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 176.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.2 mt -68.71 -62.11 1.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.925 0.393 . . . . 0.0 110.958 -176.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -135.38 108.86 7.89 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.153 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -80.77 90.99 5.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.907 0.86 . . . . 0.0 109.954 178.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.0 t -89.9 112.5 24.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.844 -177.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.506 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 95.0 mttt -100.81 159.25 15.35 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 120.935 0.398 . . . . 0.0 111.415 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.86 -174.72 4.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.194 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -58.39 -65.28 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.291 175.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.534 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . 83.8 tttt 174.13 -56.86 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.133 -177.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.534 ' HD3' ' HB3' ' A' ' 15' ' ' LYS . 96.3 Cg_endo -80.27 78.98 3.47 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.828 1.686 . . . . 0.0 113.383 -175.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.502 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 24.2 t -116.56 87.04 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 173.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.54 HG22 HG12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -103.54 111.0 23.26 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.517 -174.635 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.592 ' O ' ' HA ' ' A' ' 26' ' ' PRO . 10.7 tt -102.17 137.84 28.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.743 178.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.526 ' HB3' ' O ' ' A' ' 84' ' ' CYS . 12.5 t -118.31 138.68 52.22 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.971 0.415 . . . . 0.0 109.91 -178.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.414 HD22 ' HG3' ' A' ' 44' ' ' PRO . 10.3 mp -118.05 171.71 7.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.574 -178.15 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -66.85 -14.87 63.18 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.166 0.507 . . . . 0.0 110.654 178.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -78.55 -2.1 37.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.65 177.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.71 49.01 52.57 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.376 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.06 100.36 7.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 120.685 0.279 . . . . 0.0 111.425 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.592 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 6.2 Cg_exo -79.93 116.77 3.47 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 123.368 2.712 . . . . 0.0 111.461 174.227 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.0 mtt85 -113.5 143.58 44.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.277 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.54 HG12 HG22 ' A' ' 18' ' ' THR . 63.5 mt -97.87 116.29 40.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.525 177.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -84.93 133.02 34.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.354 -0.384 . . . . 0.0 109.966 175.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -85.03 -34.53 22.29 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.506 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -142.24 178.97 20.47 Favored Glycine 0 N--CA 1.438 -1.168 0 CA-C-N 115.454 -0.794 . . . . 0.0 112.53 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.515 HG12 ' HB2' ' A' ' 61' ' ' SER . 17.6 t -78.29 -24.54 13.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.669 0.271 . . . . 0.0 111.267 -174.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -67.87 -43.51 79.23 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.422 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -59.43 -38.18 80.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.249 177.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.5 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -63.5 -50.8 68.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.711 177.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.514 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 72.2 t80 -63.02 -44.35 96.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.971 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -61.32 -41.68 97.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.225 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -61.63 -47.16 86.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.699 178.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.524 ' HA ' ' HB2' ' A' ' 43' ' ' TRP . 95.0 mt -60.48 -47.5 85.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -67.69 -38.44 83.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.816 -178.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -67.97 -61.24 1.96 Allowed 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.071 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -157.38 85.86 0.93 Allowed 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.354 0.597 . . . . 0.0 111.684 -177.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.567 ' CZ3' HD13 ' A' ' 19' ' ' ILE . 61.3 t-105 -101.04 110.81 62.21 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 168.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.414 ' HG3' HD22 ' A' ' 21' ' ' LEU . 73.2 Cg_endo -74.13 32.37 0.34 Allowed 'Trans proline' 0 N--CA 1.473 0.296 0 C-N-CA 123.372 2.714 . . . . 0.0 113.732 -172.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -145.51 132.78 20.54 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 mtm-85 -136.53 157.56 46.49 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.84 -98.41 0.11 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.194 -178.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.535 ' OD2' ' HG3' ' A' ' 49' ' ' ARG . 37.6 t70 -149.15 -103.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.725 0.263 . . . . 0.0 111.421 -177.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.535 ' HG3' ' OD2' ' A' ' 48' ' ' ASP . 83.6 mtt180 -78.27 -31.33 49.0 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -171.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.7 -31.19 71.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.094 0.473 . . . . 0.0 110.55 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -78.45 -42.18 30.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.672 178.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 98.4 mt-10 -61.31 -48.65 80.39 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.905 178.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -57.41 -43.86 84.11 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.296 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.68 -44.61 77.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.918 0.389 . . . . 0.0 110.809 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.1 mt -66.8 -41.12 88.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.874 179.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 95.5 mtt180 -66.11 -46.86 76.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.201 -178.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.8 mt -58.64 -40.86 84.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.514 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 74.0 m -65.5 -47.9 74.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.413 -179.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.2 mtm180 -70.67 -32.27 69.48 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.138 -177.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.33 95.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.108 0.48 . . . . 0.0 110.447 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.515 ' HB2' HG12 ' A' ' 32' ' ' VAL . 26.2 m -62.66 -35.22 78.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.92 179.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.7 mt -68.18 -17.29 64.29 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.59 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 71.5 mtm -97.74 -8.24 29.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.966 0.412 . . . . 0.0 110.614 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.37 7.29 58.25 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.6 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.04 -30.08 70.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.928 0.394 . . . . 0.0 111.132 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.44 HG11 ' HB ' ' A' ' 70' ' ' ILE . 44.2 t -121.5 134.35 65.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.169 -178.271 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.35 21.66 0.75 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.087 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.93 -45.13 3.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.003 178.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -55.14 -62.41 1.68 Allowed 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -177.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.44 ' HB ' HG11 ' A' ' 66' ' ' VAL . 67.4 mt -56.48 -36.43 47.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.178 0.513 . . . . 0.0 110.949 -178.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.414 ' HB1' HG13 ' A' ' 66' ' ' VAL . . . -68.86 -36.42 78.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.085 -178.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 76' ' ' VAL . 46.3 ttt180 -66.62 -47.67 71.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.647 0.26 . . . . 0.0 110.912 -176.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 p -70.32 -42.39 72.01 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 120.867 0.365 . . . . 0.0 111.192 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.53 -35.05 79.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.307 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -63.09 -45.14 93.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.168 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 72' ' ' ARG . 91.6 t -59.56 -39.64 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.481 178.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.6 -43.55 93.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.307 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.34 -32.05 70.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.056 0.455 . . . . 0.0 111.163 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.7 m -74.5 -2.6 26.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.814 -177.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -65.68 -12.62 55.13 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.76 0.314 . . . . 0.0 110.64 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -56.6 -36.14 69.07 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.723 175.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.01 -16.23 62.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.271 -178.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 20.1 m80 59.28 36.22 23.55 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.002 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.526 ' O ' ' HB3' ' A' ' 20' ' ' SER . 22.2 t -160.99 99.15 1.21 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.501 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.523 ' H ' ' HB2' ' A' ' 88' ' ' ASP . 77.1 mt -122.19 178.41 4.94 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.525 177.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 47.3 mtp -66.95 -31.71 72.47 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.167 172.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -96.41 69.37 2.62 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 170.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.523 ' HB2' ' H ' ' A' ' 85' ' ' LEU . 26.3 t70 -140.32 133.01 28.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.047 -179.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -101.15 120.53 40.36 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.718 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.98 -24.59 66.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.994 174.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -71.99 152.23 42.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.279 175.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -112.55 100.89 51.53 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-O 120.878 0.371 . . . . 0.0 110.943 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.76 151.89 36.7 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 122.851 2.367 . . . . 0.0 111.442 177.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -100.63 -36.33 9.19 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.19 0.519 . . . . 0.0 109.826 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.7 p -100.22 112.84 25.18 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.067 174.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 62.8 mt -122.92 104.73 14.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.631 -173.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.6 95.85 7.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.836 175.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.7 p -74.04 119.58 18.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.07 0.462 . . . . 0.0 111.092 -176.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -136.84 -134.26 3.26 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.874 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.1 m . . . . . 0 C--O 1.25 1.091 0 O-C-N 123.947 0.439 . . . . 0.0 110.907 178.833 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.456 ' H3 ' ' CG ' ' A' ' 65' ' ' ASP . 65.3 mtt . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -61.54 -45.44 94.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.346 0.593 . . . . 0.0 109.964 176.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.0 t -81.2 112.54 19.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.323 177.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.712 HE22 ' HG2' ' A' ' 59' ' ' ARG . 91.3 mt-30 -112.83 147.78 36.24 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.23 176.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 p -77.65 147.67 35.43 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.703 178.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 25.5 ttt -66.19 -26.45 67.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.282 0.563 . . . . 0.0 109.573 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 60.9 tp -88.86 120.03 29.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.715 173.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.2 mt -80.11 144.39 33.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.326 179.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -98.16 141.19 31.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.688 -175.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -81.83 95.28 7.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.19 0.519 . . . . 0.0 110.131 178.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.422 HG21 ' O ' ' A' ' 61' ' ' SER . 61.1 t -98.12 110.53 25.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.409 -178.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -82.23 145.3 30.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.106 177.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.26 144.61 31.43 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.731 0.3 . . . . 0.0 110.592 178.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -61.18 -50.04 74.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.823 0.82 . . . . 0.0 108.997 175.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -127.39 103.79 22.4 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 114.317 -1.31 . . . . 0.0 109.146 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -51.24 147.82 20.1 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.779 2.986 . . . . 0.0 113.034 -176.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.2 t -107.31 125.83 63.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.484 -173.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.5 m -88.2 114.91 25.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.158 177.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.512 ' HB ' ' CE2' ' A' ' 29' ' ' PHE . 13.8 mm -119.78 137.03 54.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.429 178.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.4 ' HB2' ' SD ' ' A' ' 86' ' ' MET . 20.9 t -96.67 116.54 29.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.791 0.329 . . . . 0.0 110.205 179.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.638 ' HG ' ' CE1' ' A' ' 38' ' ' PHE . 7.2 mp -70.86 165.71 22.65 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.031 177.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -59.95 -23.27 63.44 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -72.9 -14.71 61.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.717 0.294 . . . . 0.0 111.033 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.88 58.2 1.73 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.573 -176.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.422 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -144.94 114.56 5.02 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.778 -0.211 . . . . 0.0 110.473 -178.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 5.5 Cg_exo -78.21 101.27 1.45 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 123.125 2.55 . . . . 0.0 112.053 178.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -95.9 130.69 42.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.482 176.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.7 mt -93.4 113.22 27.82 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.693 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.512 ' CE2' ' HB ' ' A' ' 19' ' ' ILE . 44.2 m-85 -83.16 118.08 23.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.252 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -83.52 -26.2 30.37 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.789 -177.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -138.24 159.55 25.22 Favored Glycine 0 N--CA 1.442 -0.945 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.687 -178.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.492 HG13 ' HB2' ' A' ' 61' ' ' SER . 48.4 t -62.11 -31.68 52.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.939 0.4 . . . . 0.0 111.056 -177.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -61.33 -41.07 96.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.247 -178.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.33 -41.51 97.15 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.264 0.554 . . . . 0.0 110.206 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.607 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -72.18 -45.27 61.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.092 -179.147 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -60.74 -42.77 98.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.664 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.545 ' O ' ' HD2' ' A' ' 41' ' ' HIS . 20.7 t70 -60.95 -50.84 71.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.896 175.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.638 ' CE1' ' HG ' ' A' ' 21' ' ' LEU . 34.5 t80 -52.48 -43.03 64.75 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.229 178.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.2 mt -56.5 -45.64 80.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.685 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -77.04 -17.75 58.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.625 -176.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.545 ' HD2' ' O ' ' A' ' 37' ' ' ASP . 34.7 m-70 -84.51 -63.1 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.645 177.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -157.02 79.06 0.91 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.015 0.436 . . . . 0.0 111.337 -176.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.557 ' NE1' ' HB1' ' A' ' 45' ' ' ALA . 49.9 t-105 -89.27 113.82 57.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.981 174.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.502 ' HD2' ' CE3' ' A' ' 43' ' ' TRP . 83.0 Cg_exo -49.17 -37.72 39.46 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.802 3.001 . . . . 0.0 114.458 -177.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.557 ' HB1' ' NE1' ' A' ' 43' ' ' TRP . . . -82.66 85.72 6.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.466 0.65 . . . . 0.0 110.687 -178.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 46' ' ' ARG . 8.7 ptt180 -101.51 148.49 25.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.872 -177.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.24 -98.04 0.16 Allowed Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -152.35 -80.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.809 0.304 . . . . 0.0 111.167 174.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 39.5 ttt85 -68.13 -35.01 77.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.826 -171.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.68 -40.49 76.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.25 0.547 . . . . 0.0 110.236 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -70.85 -45.43 64.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.517 178.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -53.0 -56.83 13.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.405 178.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.481 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 8.7 tt0 -52.14 -47.36 65.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.409 -176.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.61 -47.86 75.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.567 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.8 mp -72.4 -37.85 68.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.316 -178.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.2 mmt85 -62.0 -40.04 94.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.86 0.362 . . . . 0.0 110.968 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 84.5 mt -64.97 -48.42 74.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.679 178.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 73.2 m -65.83 -34.66 78.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.252 -178.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.712 ' HG2' HE22 ' A' ' 4' ' ' GLN . 37.6 ttt180 -62.11 -41.38 98.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.91 0.385 . . . . 0.0 110.647 177.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.44 -35.2 60.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.817 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.492 ' HB2' HG13 ' A' ' 32' ' ' VAL . 47.2 m -64.64 -31.97 73.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.459 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 48.1 mt -70.63 -8.69 53.62 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.806 0.336 . . . . 0.0 111.79 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.472 ' HG3' ' HG2' ' A' ' 4' ' ' GLN . 92.2 mmm -107.29 -5.27 17.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.062 0.458 . . . . 0.0 110.523 177.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.78 19.38 58.07 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.615 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.456 ' CG ' ' H3 ' ' A' ' 1' ' ' MET . 10.8 m-20 -75.63 -38.29 59.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.097 0.475 . . . . 0.0 110.662 178.149 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.2 t -107.33 121.08 59.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.096 -177.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.13 89.67 4.24 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -175.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.55 -100.64 0.04 OUTLIER Glycine 0 CA--C 1.521 0.409 0 N-CA-C 115.22 0.848 . . . . 0.0 115.22 166.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.529 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 42.8 tt0 -58.18 -26.96 63.41 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -173.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 61.8 mt -60.95 -45.99 97.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.889 0.376 . . . . 0.0 110.309 178.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.67 -37.0 79.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.996 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.529 ' HB3' ' HA ' ' A' ' 69' ' ' GLU . 21.6 ttt85 -59.3 -49.19 78.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.064 178.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.3 m -66.16 -41.68 90.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.895 0.379 . . . . 0.0 111.069 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.27 -33.06 74.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.024 0.44 . . . . 0.0 110.785 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.431 ' CE1' HD21 ' A' ' 39' ' ' LEU . 39.9 t80 -66.54 -35.81 81.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.806 177.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.545 HG13 HD22 ' A' ' 85' ' ' LEU . 79.3 t -61.07 -39.53 82.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.293 175.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.4 87.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.111 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.08 -38.35 66.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.117 0.484 . . . . 0.0 110.594 177.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.3 m -67.81 -16.8 64.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.208 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -61.79 -37.11 83.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.077 -178.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -60.86 -43.27 98.61 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.038 0.447 . . . . 0.0 111.094 -178.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.01 -1.17 57.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.904 -178.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 58.39 34.38 23.95 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.48 -177.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.438 ' SG ' HG22 ' A' ' 19' ' ' ILE . 47.2 t -88.45 32.26 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.695 0.759 . . . . 0.0 109.928 -179.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.545 HD22 HG13 ' A' ' 76' ' ' VAL . 90.2 mt -87.29 122.59 31.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.162 -176.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.4 ' SD ' ' HB2' ' A' ' 20' ' ' SER . 82.2 mtp -139.68 153.63 47.31 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.303 176.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.412 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 26.5 mm-40 -81.15 146.29 30.6 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 171.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -71.08 139.63 50.43 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.4 mptt 61.03 31.79 19.86 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 123.577 0.548 . . . . 0.0 110.239 -176.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' A' ' 87' ' ' GLU . . . -59.64 -33.49 71.6 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.894 -178.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -97.27 99.15 10.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 177.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -116.65 125.66 28.2 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.07 -175.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.0 170.08 20.82 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.885 2.39 . . . . 0.0 112.46 177.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.7 t30 57.02 73.55 0.45 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.124 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.2 m -110.63 151.96 27.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.232 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.2 tp -127.58 104.58 12.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.555 0.693 . . . . 0.0 110.658 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -128.0 -76.39 0.57 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.424 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.2 m -127.85 107.97 10.32 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.355 177.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.3 55.15 4.01 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.1 -0.571 . . . . 0.0 112.255 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 33.1 m . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.564 -0.731 . . . . 0.0 109.573 179.246 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ttt . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -66.59 128.05 34.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.957 0.408 . . . . 0.0 111.077 -175.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.8 t -115.76 127.46 73.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.792 177.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -72.43 -38.38 68.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.353 -178.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 t -85.85 93.25 8.86 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.255 0.55 . . . . 0.0 110.906 -175.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 71.7 mtm -119.83 113.61 20.85 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 173.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.1 mt -81.76 168.31 18.18 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.342 -173.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.7 tp -67.55 -25.22 65.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.672 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -96.07 0.17 51.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.281 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -105.17 74.12 1.09 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 171.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.545 HG12 HD23 ' A' ' 62' ' ' LEU . 5.4 p -96.89 126.53 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.542 -171.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.509 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 91.9 mttt -112.4 159.29 18.86 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.379 -178.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.48 135.29 33.55 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.451 0.643 . . . . 0.0 112.429 -174.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -71.86 -29.8 64.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.7 -1.137 . . . . 0.0 108.926 175.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.491 ' HB2' ' HD2' ' A' ' 72' ' ' ARG . 88.8 mttt -129.12 102.94 18.58 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 114.492 -1.231 . . . . 0.0 108.848 173.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.67 145.55 59.1 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.951 2.434 . . . . 0.0 112.784 -177.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.455 HG21 ' HG3' ' A' ' 72' ' ' ARG . 55.4 t -102.94 125.55 57.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.893 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.749 ' HB ' ' SD ' ' A' ' 86' ' ' MET . 7.3 m -112.18 109.82 19.74 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.046 0.451 . . . . 0.0 110.088 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.5 ' CG1' ' HE2' ' A' ' 29' ' ' PHE . 27.5 mm -106.64 123.32 61.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.409 -177.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 15.3 m -85.69 115.8 23.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.979 0.418 . . . . 0.0 110.323 177.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.471 HD23 ' CE1' ' A' ' 38' ' ' PHE . 20.6 mt -71.32 -178.69 2.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.848 179.175 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 47.5 tp60 -64.74 -31.45 72.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.406 -176.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -78.43 5.9 9.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.987 177.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.94 33.97 65.52 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.7 -178.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.57 105.02 56.66 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 120.677 0.275 . . . . 0.0 110.513 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.445 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 2.7 Cg_exo -76.53 112.33 3.44 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 123.094 2.529 . . . . 0.0 111.97 178.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.439 HH11 ' HD1' ' A' ' 38' ' ' PHE . 79.2 mtp180 -93.68 125.94 38.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.1 mt -88.64 107.9 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.973 0.416 . . . . 0.0 110.45 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.5 ' HE2' ' CG1' ' A' ' 19' ' ' ILE . 30.7 m-85 -90.8 119.1 30.74 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -104.27 -14.57 15.76 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 -177.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.509 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -128.57 149.09 18.23 Favored Glycine 0 N--CA 1.442 -0.926 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.126 177.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.459 HG13 ' HB2' ' A' ' 61' ' ' SER . 50.2 t -68.26 -28.72 41.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.907 0.384 . . . . 0.0 110.825 -177.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.437 ' HA ' HD11 ' A' ' 62' ' ' LEU . 66.5 t80 -65.57 -35.71 81.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.764 0.316 . . . . 0.0 110.263 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -64.53 -40.73 96.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.258 0.551 . . . . 0.0 110.08 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.563 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -67.62 -41.65 83.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.677 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.463 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 90.9 t80 -59.1 -45.55 90.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.37 176.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.57 -43.72 98.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.374 178.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.471 ' CE1' HD23 ' A' ' 21' ' ' LEU . 62.9 t80 -55.79 -45.28 78.24 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.687 179.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 89.4 mt -63.68 -19.07 64.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.191 -175.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -97.93 -31.67 12.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.697 0.284 . . . . 0.0 111.543 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -83.01 -39.75 20.86 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.81 -175.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -163.25 84.04 0.49 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.137 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.503 ' HB2' ' HA ' ' A' ' 39' ' ' LEU . 53.7 t-105 -117.4 109.44 42.11 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.085 174.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.89 -32.98 65.65 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.266 2.644 . . . . 0.0 114.068 -175.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.416 ' HB2' ' NE1' ' A' ' 43' ' ' TRP . . . -74.56 107.89 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.152 0.501 . . . . 0.0 110.76 -177.132 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 71.1 mtt-85 -101.35 179.56 4.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.822 -176.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 130.82 -18.27 5.12 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 -175.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 69.0 -53.04 0.58 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.953 0.901 . . . . 0.0 113.119 177.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 70.0 mtm-85 -61.73 -48.37 81.04 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.723 0.297 . . . . 0.0 111.12 -179.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.95 -30.26 68.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.293 0.568 . . . . 0.0 110.54 175.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.403 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 26.3 t-80 -68.63 -45.48 71.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.439 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -65.6 -35.06 79.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.226 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.461 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 34.7 tt0 -59.03 -51.81 68.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.411 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.41 91.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.756 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 97.2 mt -62.04 -44.29 97.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.741 177.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 45.7 ttm-85 -62.35 -41.14 98.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.592 -177.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 78.0 mt -60.02 -43.95 94.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.444 178.29 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.463 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 63.1 m -66.03 -42.5 89.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.723 178.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 55' ' ' LEU . 63.8 mtt180 -60.9 -44.52 97.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.27 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.74 -39.69 92.46 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.835 0.35 . . . . 0.0 110.986 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.459 ' HB2' HG13 ' A' ' 32' ' ' VAL . 16.9 m -63.35 -39.75 95.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.353 0.597 . . . . 0.0 109.982 177.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.545 HD23 HG12 ' A' ' 11' ' ' VAL . 51.8 mt -86.25 9.39 17.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.651 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 58.6 ttp -112.71 -54.86 2.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.278 -176.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -160.28 -66.18 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 119.149 -1.5 . . . . 0.0 114.65 -176.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -132.85 88.48 2.52 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -165.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.462 HG13 ' HB1' ' A' ' 71' ' ' ALA . 55.1 t -140.56 123.94 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.259 165.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.49 81.92 8.5 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 35.14 -91.5 0.01 OUTLIER Glycine 0 N--CA 1.469 0.855 0 N-CA-C 116.105 1.202 . . . . 0.0 116.105 167.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -51.54 -34.38 36.26 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.181 0.592 . . . . 0.0 112.213 -176.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 66.5 mt -59.65 -48.35 87.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.844 0.354 . . . . 0.0 110.441 178.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.462 ' HB1' HG13 ' A' ' 66' ' ' VAL . . . -59.58 -34.33 72.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.263 176.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.491 ' HD2' ' HB2' ' A' ' 15' ' ' LYS . 71.9 ttt-85 -63.79 -52.63 59.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.809 0.338 . . . . 0.0 110.586 -178.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.3 m -62.38 -38.67 90.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.062 0.458 . . . . 0.0 110.636 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.06 -34.86 79.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.718 177.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -68.57 -36.61 79.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.061 177.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 75.6 t -65.76 -37.77 80.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.038 0.447 . . . . 0.0 110.361 175.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.55 -30.18 70.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.776 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.75 -41.96 25.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.942 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.4 p -73.9 -10.15 59.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.256 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -62.11 -25.79 67.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.351 0.596 . . . . 0.0 109.486 175.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -70.4 -11.83 61.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.075 178.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.11 -9.54 57.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.836 0.35 . . . . 0.0 110.334 176.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 64.73 25.22 12.98 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.515 176.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 43.2 t -155.24 93.59 1.53 Allowed 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.12 0.486 . . . . 0.0 110.131 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.4 mt -96.58 141.82 29.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.345 178.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.749 ' SD ' ' HB ' ' A' ' 18' ' ' THR . 48.5 ttp -71.03 -35.27 71.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.815 0.34 . . . . 0.0 110.918 -178.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -80.62 138.23 36.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.104 -177.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 54.28 64.48 1.81 Allowed 'General case' 0 C--O 1.234 0.241 0 O-C-N 123.898 0.749 . . . . 0.0 110.061 -173.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.8 tttm -127.97 4.53 5.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.178 -176.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -80.96 43.74 0.71 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.648 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 69.92 127.21 0.03 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.059 -177.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -108.99 105.7 57.62 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.042 -177.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -82.2 -22.21 5.08 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.77 2.313 . . . . 0.0 112.486 177.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -135.15 145.53 47.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.832 -179.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 41.7 p -101.39 173.69 6.33 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 177.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.9 pt -69.91 -12.33 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.796 0.332 . . . . 0.0 110.978 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.44 -11.19 59.93 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.483 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 77.7 p -83.89 105.64 14.94 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -124.98 11.29 7.79 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.222 -177.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.3 p . . . . . 0 C--O 1.25 1.088 0 CA-C-O 119.051 -0.5 . . . . 0.0 110.142 178.096 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 N--CA 1.465 0.302 0 CA-C-O 121.063 0.459 . . . . 0.0 111.648 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.78 HG13 ' HB ' ' A' ' 32' ' ' VAL . 4.1 p -121.45 111.99 33.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.527 0.68 . . . . 0.0 110.511 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -87.91 145.51 26.01 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.778 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -90.71 -176.91 4.85 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -175.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.43 ' C ' ' HD2' ' A' ' 16' ' ' PRO . 27.8 mm-40 -66.62 -28.7 68.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.217 178.277 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 14' ' ' GLU . 56.8 tttp 111.61 -55.93 0.0 OUTLIER Pre-proline 0 N--CA 1.48 1.038 0 C-N-CA 125.74 1.616 . . . . 0.0 112.94 175.349 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.43 ' HD2' ' C ' ' A' ' 14' ' ' GLU . 61.1 Cg_endo -73.47 57.47 3.55 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.749 1.633 . . . . 0.0 113.54 -177.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 45.0 t -112.74 107.31 22.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 177.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.562 ' HB ' ' SD ' ' A' ' 86' ' ' MET . 11.9 m -107.43 122.9 47.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.999 -174.255 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.6 mm -101.03 119.46 49.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.726 172.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 t -83.83 106.05 15.21 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.1 mt -87.76 126.02 34.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.417 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -62.13 -48.22 81.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.769 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -96.98 15.97 20.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.019 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -139.07 -116.14 1.36 Allowed Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.203 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -158.3 162.77 26.23 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -176.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.22 101.94 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.826 2.351 . . . . 0.0 111.867 172.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -96.85 112.29 24.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.487 -177.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 59.6 mt -92.66 119.73 40.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.157 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -91.6 153.25 19.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.612 -178.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -108.13 -25.0 11.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.144 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -137.11 155.23 22.69 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.478 -177.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.78 ' HB ' HG13 ' A' ' 11' ' ' VAL . 40.3 t -71.56 -26.28 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.156 0.503 . . . . 0.0 109.915 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -63.89 -35.97 82.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.284 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -65.35 -45.98 82.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.199 0.523 . . . . 0.0 109.799 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.516 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -63.54 -43.74 96.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.248 -178.353 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.406 ' HA ' HD12 ' A' ' 39' ' ' LEU . 80.6 t80 -60.01 -42.73 94.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.637 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -67.79 -42.66 81.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.115 0.483 . . . . 0.0 110.323 178.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -58.22 -39.52 79.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.386 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 88.7 mt -59.55 -24.66 63.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.026 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -97.84 -26.74 14.59 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.111 -177.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -76.56 -76.76 0.15 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.81 -176.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -136.04 68.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.12 0.486 . . . . 0.0 111.549 -173.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.424 ' HA ' ' HD2' ' A' ' 44' ' ' PRO . 68.1 t-105 -90.1 117.49 68.1 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 171.391 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 43' ' ' TRP . 9.5 Cg_endo -49.9 -71.56 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.765 2.977 . . . . 0.0 113.823 -171.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.18 106.38 15.8 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.0 mtt-85 -62.2 -78.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.69 -174.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.74 -98.49 0.56 Allowed Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.375 -0.917 . . . . 0.0 113.06 169.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.454 ' CG ' ' H ' ' A' ' 49' ' ' ARG . 15.5 t70 -166.93 -139.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -174.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.454 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 61.1 mtt85 -57.21 -35.15 69.3 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.56 -36.73 76.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -64.81 -43.62 92.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.806 175.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -65.49 -37.34 86.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.851 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -59.88 -38.13 81.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.72 177.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.95 -51.48 69.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.553 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.473 HD12 HD13 ' A' ' 39' ' ' LEU . 8.9 mp -63.92 -39.84 95.1 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.956 0.408 . . . . 0.0 110.855 177.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -58.33 -51.14 71.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.138 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.9 -33.85 74.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.414 -177.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 70.9 m -64.38 -36.04 82.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.056 0.455 . . . . 0.0 110.14 175.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -65.41 -41.2 93.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.291 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.25 -31.03 69.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.898 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.3 m -64.27 -31.03 72.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.634 177.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.681 HD23 HG12 ' A' ' 11' ' ' VAL . 92.1 mt -64.19 -26.26 68.44 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.769 178.079 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 62.7 mtt -83.25 -18.31 39.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.724 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.68 31.39 21.49 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.962 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -110.17 6.37 22.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 111.295 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 64.4 t -133.07 136.71 54.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -92.77 169.12 10.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.62 0.248 . . . . 0.0 110.807 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.13 -59.06 11.51 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.941 -0.572 . . . . 0.0 113.797 -173.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.408 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 14.1 mm-40 -69.0 -26.82 65.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.819 0.309 . . . . 0.0 110.942 -175.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 61.4 mt -62.79 -56.03 20.04 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 120.882 0.372 . . . . 0.0 110.374 177.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.92 85.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.295 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.479 ' O ' HG23 ' A' ' 76' ' ' VAL . 68.4 ttt180 -57.82 -50.5 73.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.328 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.9 m -61.32 -42.21 98.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.034 0.445 . . . . 0.0 110.765 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.33 -31.91 67.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -64.86 -36.53 84.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.687 177.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 72' ' ' ARG . 89.8 t -66.08 -37.08 78.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.254 176.099 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 80' ' ' ARG . . . -64.31 -36.96 85.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.783 177.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.63 -41.21 72.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.091 0.472 . . . . 0.0 110.37 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.3 t -65.26 -25.97 67.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.291 177.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.477 ' HB3' ' O ' ' A' ' 77' ' ' ALA . 47.2 ttt180 -62.95 -42.59 99.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.718 176.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -63.96 -38.94 92.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.163 0.506 . . . . 0.0 110.034 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.14 -13.4 60.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.332 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.6 m170 62.28 28.2 16.84 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.103 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.2 t -105.32 29.13 6.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.467 0.651 . . . . 0.0 109.487 -176.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.05 139.54 58.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.04 -175.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.562 ' SD ' ' HB ' ' A' ' 18' ' ' THR . 19.8 ttt . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.348 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 . . . . . 0 CA--C 1.515 -0.37 0 CA-C-O 121.147 0.499 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.0 t -114.16 112.47 40.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.728 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -89.14 142.66 27.45 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 171.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.469 ' CZ3' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -78.85 128.48 33.4 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.782 -179.46 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.06 -48.45 20.78 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -97.6 105.43 26.22 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.518 172.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.472 ' HB2' HG23 ' A' ' 28' ' ' ILE . 31.2 Cg_endo -62.43 150.28 87.92 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 123.13 2.553 . . . . 0.0 113.253 -171.177 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.546 HG22 ' HG3' ' A' ' 72' ' ' ARG . 43.5 t -103.56 105.91 19.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.953 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 m -95.67 108.38 20.66 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.246 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.574 HD11 ' HZ3' ' A' ' 43' ' ' TRP . 20.5 tt -101.25 132.17 47.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.079 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.3 p -101.93 119.7 39.21 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.055 0.455 . . . . 0.0 110.903 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.76 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 10.4 mp -67.14 164.26 18.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.667 174.118 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.7 -16.96 64.25 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -170.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -92.89 11.68 26.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.044 0.45 . . . . 0.0 110.793 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.411 ' O ' ' HD3' ' A' ' 26' ' ' PRO . . . 77.37 45.82 10.8 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.053 -0.594 . . . . 0.0 111.93 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.76 ' HB3' ' HB2' ' A' ' 21' ' ' LEU . . . -111.74 97.48 37.51 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-O 120.666 0.269 . . . . 0.0 110.781 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 24' ' ' GLY . 4.9 Cg_exo -76.3 117.8 4.73 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 123.219 2.613 . . . . 0.0 112.104 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.544 HH11 ' HE1' ' A' ' 38' ' ' PHE . 99.3 mtt180 -115.08 117.55 30.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.047 176.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.472 HG23 ' HB2' ' A' ' 16' ' ' PRO . 62.2 mt -91.44 116.82 33.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.583 -176.278 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.462 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 33.3 m-85 -79.05 127.01 31.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.648 178.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -84.96 -41.92 15.43 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.979 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.41 161.53 21.51 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.804 -0.713 . . . . 0.0 111.88 -178.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.605 HG11 ' HB2' ' A' ' 61' ' ' SER . 78.5 t -62.87 -38.48 81.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.012 0.434 . . . . 0.0 111.343 -178.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -66.52 -33.68 76.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.188 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -65.76 -36.29 83.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.373 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.458 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -67.26 -40.31 86.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.404 176.51 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -62.47 -42.04 99.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.508 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -59.73 -52.42 65.55 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.948 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.544 ' HE1' HH11 ' A' ' 27' ' ' ARG . 84.6 t80 -54.02 -42.07 68.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.471 -178.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.1 mt -61.95 -27.86 69.13 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -176.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -100.87 -27.55 13.26 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.259 -178.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -83.6 -48.13 10.55 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.735 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -139.49 77.86 1.64 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.993 0.425 . . . . 0.0 111.773 -174.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.574 ' HZ3' HD11 ' A' ' 19' ' ' ILE . 60.2 t-105 -111.39 107.31 57.09 Favored Pre-proline 0 C--N 1.318 -0.771 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 173.41 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -82.75 37.81 0.7 Allowed 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 123.178 2.585 . . . . 0.0 113.289 -173.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.25 -171.57 2.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.315 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -112.21 -122.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.042 175.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.19 -34.98 3.23 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.243 -0.98 . . . . 0.0 111.58 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.8 t70 58.73 -91.12 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.282 0.633 . . . . 0.0 111.319 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -64.05 -43.55 95.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.708 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.87 -32.16 73.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.84 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 47.3 t60 -70.9 -47.44 59.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.253 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -65.2 -39.28 92.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.894 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.611 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 35.6 tt0 -59.58 -49.01 79.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.641 176.422 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.516 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -57.74 -41.78 82.55 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.341 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.3 mt -64.08 -43.82 94.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.97 0.414 . . . . 0.0 110.499 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -64.12 -40.01 95.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.083 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 84.7 mt -56.21 -49.84 72.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.414 177.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 55.5 m -65.53 -41.3 93.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.534 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -61.44 -47.49 85.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.717 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.3 -27.93 64.78 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.385 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.605 ' HB2' HG11 ' A' ' 32' ' ' VAL . 61.8 m -70.78 -36.09 72.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.378 177.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.7 mt -68.96 -27.57 65.85 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.437 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 87.2 mtp -72.1 -33.13 67.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.087 175.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.9 20.27 10.87 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.559 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -98.15 -23.63 15.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 122.613 -0.345 . . . . 0.0 111.334 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.51 HG11 ' HB2' ' A' ' 71' ' ' ALA . 60.7 t -101.79 116.84 46.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 176.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.87 65.62 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -175.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.04 -84.12 0.07 OUTLIER Glycine 0 CA--C 1.522 0.524 0 N-CA-C 115.04 0.776 . . . . 0.0 115.04 169.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -66.94 -25.71 66.48 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -170.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.6 mt -59.42 -41.36 84.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.005 0.431 . . . . 0.0 110.205 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.51 ' HB2' HG11 ' A' ' 66' ' ' VAL . . . -72.09 -36.82 69.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.336 177.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.546 ' HG3' HG22 ' A' ' 17' ' ' VAL . 29.0 ttt180 -58.39 -48.3 81.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.425 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.9 m -66.05 -43.67 86.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.064 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.1 -36.01 77.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.244 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -57.86 -49.83 75.36 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.033 0.444 . . . . 0.0 110.147 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 97.0 t -63.73 -41.37 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.561 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.33 -44.03 88.49 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.359 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.6 -34.01 75.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.048 0.452 . . . . 0.0 111.012 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.0 m -76.53 -9.95 59.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.701 -176.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.722 ' HG2' HD11 ' A' ' 85' ' ' LEU . 35.5 mtp180 -64.66 -31.14 72.22 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.779 0.323 . . . . 0.0 110.749 -178.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -67.45 -25.66 66.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.69 -15.98 61.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.674 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 38.9 m80 62.91 37.19 12.22 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.289 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 35.9 t -150.21 92.66 1.9 Allowed 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.619 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.722 HD11 ' HG2' ' A' ' 80' ' ' ARG . 94.4 mt -122.52 178.06 5.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.967 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 91.9 mmm . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.423 176.46 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 CA--C 1.514 -0.41 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.2 t -89.43 104.47 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-O 121.275 0.56 . . . . 0.0 109.967 -175.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.562 ' HD3' ' HA3' ' A' ' 31' ' ' GLY . 68.9 mmtt -89.3 157.69 18.11 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.31 176.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -169.5 2.57 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.211 178.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.04 -57.45 10.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.697 174.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.55 -59.85 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.868 175.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -91.16 129.6 1.31 Allowed 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 121.881 1.72 . . . . 0.0 114.189 -171.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 60.5 t -141.2 89.19 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 166.442 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 m -86.75 106.61 17.79 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -171.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.405 ' CG1' ' HE2' ' A' ' 29' ' ' PHE . 35.6 mm -113.02 104.63 17.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.133 174.079 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.675 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 55.8 m -80.83 101.02 9.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.037 0.446 . . . . 0.0 110.77 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.458 HD21 ' CZ ' ' A' ' 38' ' ' PHE . 81.8 mt -71.5 145.02 49.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.886 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -60.01 -18.46 46.17 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.307 0.575 . . . . 0.0 110.52 175.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -67.16 -12.88 61.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.614 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.46 44.19 3.52 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.089 -0.577 . . . . 0.0 112.225 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -154.45 110.44 2.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.712 0.292 . . . . 0.0 111.32 -178.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.675 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 4.4 Cg_exo -77.8 96.28 1.09 Allowed 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 123.038 2.492 . . . . 0.0 111.073 171.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -83.68 117.84 23.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.53 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.476 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 67.0 mt -97.4 105.81 17.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.075 178.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.405 ' HE2' ' CG1' ' A' ' 19' ' ' ILE . 23.6 m-85 -84.65 145.58 27.92 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -117.85 -5.65 11.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.074 0.464 . . . . 0.0 110.959 -178.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.562 ' HA3' ' HD3' ' A' ' 12' ' ' LYS . . . -135.28 157.28 23.06 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 120.825 -0.703 . . . . 0.0 111.922 178.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.564 HG11 ' HB2' ' A' ' 61' ' ' SER . 47.0 t -72.67 -32.1 39.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.974 0.416 . . . . 0.0 111.038 -176.038 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -67.11 -36.35 81.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.518 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.25 -41.01 98.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.643 179.069 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.595 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -65.86 -43.42 88.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.969 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -61.92 -44.26 97.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.63 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.8 -41.35 83.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.308 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.458 ' CZ ' HD21 ' A' ' 21' ' ' LEU . 26.1 t80 -58.18 -39.85 79.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.68 178.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 94.2 mt -60.63 -27.67 67.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.941 -176.369 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -92.45 -7.98 46.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.834 0.349 . . . . 0.0 110.851 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -98.92 -84.6 0.4 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.886 -176.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -117.36 37.6 3.83 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -168.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -66.58 110.89 5.54 Favored Pre-proline 0 CA--C 1.533 0.316 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 172.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -85.46 29.76 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.248 2.632 . . . . 0.0 113.834 -168.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -158.01 -174.76 4.99 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -90.75 -167.82 1.92 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 175.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.56 ' HA2' ' OE1' ' A' ' 81' ' ' GLN . . . 172.49 -47.58 0.17 Allowed Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.575 176.385 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.458 ' OD1' ' HG3' ' A' ' 49' ' ' ARG . 9.5 t70 55.89 -90.45 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.443 0.697 . . . . 0.0 111.517 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.458 ' HG3' ' OD1' ' A' ' 48' ' ' ASP . 99.9 mtt180 -87.82 -30.4 20.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.874 -178.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.12 -29.12 63.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.713 0.768 . . . . 0.0 109.033 172.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.508 ' HB2' ' HA3' ' A' ' 47' ' ' GLY . 20.4 t60 -71.5 -41.1 69.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.238 175.209 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -61.2 -40.52 94.26 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.493 174.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.605 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 35.8 tt0 -54.26 -49.12 70.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.113 176.222 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.508 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -64.08 -43.03 96.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.246 179.293 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.25 -42.9 96.29 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.108 0.48 . . . . 0.0 110.584 177.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -66.38 -39.83 89.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.766 -177.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 79.4 mt -56.15 -52.41 64.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.479 176.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 37.5 m -63.78 -40.01 95.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.589 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -63.63 -51.17 66.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.734 -178.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.25 -32.09 72.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.406 -177.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.564 ' HB2' HG11 ' A' ' 32' ' ' VAL . 51.0 m -66.53 -41.82 88.18 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 176.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 72.2 mt -67.4 -26.26 66.36 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.901 0.381 . . . . 0.0 110.658 176.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 90.7 mtp -78.81 -8.47 58.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.679 175.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.28 20.84 59.77 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.607 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -93.49 -53.39 4.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.886 0.374 . . . . 0.0 110.482 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.8 t -84.13 133.04 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.195 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.35 26.91 0.52 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -175.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.7 -54.09 4.9 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.735 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -58.35 -52.44 65.59 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.806 0.336 . . . . 0.0 111.162 -176.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 59.0 mt -55.6 -35.94 40.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.53 -36.34 82.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.977 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.459 ' O ' HG23 ' A' ' 76' ' ' VAL . 27.9 mtp-105 -64.9 -54.36 32.0 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 120.806 0.336 . . . . 0.0 110.685 -178.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.7 m -56.4 -47.34 79.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.726 -176.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.25 -30.89 65.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.143 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -65.55 -43.38 90.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.015 0.435 . . . . 0.0 109.958 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 72' ' ' ARG . 59.4 t -66.91 -29.65 47.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.2 177.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.46 -37.06 77.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.077 0.465 . . . . 0.0 110.677 177.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.12 -29.6 61.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.71 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.7 m -71.12 -2.89 17.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.852 -178.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.681 ' HG2' HD11 ' A' ' 85' ' ' LEU . 97.1 mtt180 -65.66 -32.14 73.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.606 0.241 . . . . 0.0 110.604 178.546 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.56 ' OE1' ' HA2' ' A' ' 47' ' ' GLY . 97.0 mt-30 -69.01 -30.27 68.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.972 0.415 . . . . 0.0 110.706 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.32 -17.84 41.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.448 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 66.84 16.72 10.44 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.139 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 79.9 m -85.69 34.89 0.6 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.381 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.681 HD11 ' HG2' ' A' ' 80' ' ' ARG . 64.6 mt -71.04 117.38 12.47 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.379 0.609 . . . . 0.0 111.788 -175.486 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 83.1 mmm . . . . . 0 C--N 1.315 -0.934 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.348 177.524 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 CA--C 1.519 -0.249 0 CA-C-O 120.989 0.423 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.683 HG12 HD23 ' A' ' 62' ' ' LEU . 7.3 p -143.39 132.07 19.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.746 175.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.563 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 69.5 mmtt -98.38 167.46 10.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.668 -177.124 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -100.74 137.75 38.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.19 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -75.28 -32.51 61.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.14 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -125.53 104.36 27.99 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.133 175.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -49.19 140.21 25.98 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.656 2.904 . . . . 0.0 113.225 -175.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 50.9 t -104.98 117.52 50.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.476 -178.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.567 ' O ' ' HB2' ' A' ' 86' ' ' MET . 4.8 m -94.88 112.2 23.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.624 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.596 HD11 ' HZ3' ' A' ' 43' ' ' TRP . 16.6 tt -94.03 124.3 46.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.487 ' HB2' ' CG ' ' A' ' 86' ' ' MET . 3.6 t -93.59 100.91 13.08 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.121 0.486 . . . . 0.0 110.077 -177.107 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.3 mt -78.27 144.01 36.53 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.853 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.077 -172.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -75.2 -1.16 22.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.907 0.384 . . . . 0.0 110.886 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.85 35.39 7.23 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.119 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.21 101.0 49.96 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-O 120.67 0.271 . . . . 0.0 110.826 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -78.69 97.36 1.13 Allowed 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 123.031 2.487 . . . . 0.0 111.002 174.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.722 HH11 ' HE1' ' A' ' 29' ' ' PHE . 18.2 ttt180 -88.86 111.77 22.46 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -178.022 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.8 mt -87.87 110.04 20.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.586 -177.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.722 ' HE1' HH11 ' A' ' 27' ' ' ARG . 51.4 m-85 -81.68 118.44 22.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.312 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -89.87 -19.8 24.17 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.685 178.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.563 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -139.42 155.14 23.93 Favored Glycine 0 N--CA 1.44 -1.043 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.944 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.521 HG11 ' HB2' ' A' ' 61' ' ' SER . 18.7 t -68.56 -30.29 46.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.974 0.416 . . . . 0.0 110.605 -176.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -65.23 -37.87 88.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.592 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -62.37 -38.03 88.02 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.068 0.461 . . . . 0.0 110.626 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.595 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -65.23 -48.0 74.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.117 177.661 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.503 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 80.8 t80 -58.04 -48.37 80.31 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.624 176.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.89 -50.41 73.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.943 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.483 ' HB2' ' NH1' ' A' ' 27' ' ' ARG . 66.8 t80 -59.18 -43.62 92.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.584 -177.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 91.7 mt -58.89 -36.52 74.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.677 -177.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -94.09 -12.5 28.35 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 121.091 -0.243 . . . . 0.0 111.496 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -80.06 -61.7 1.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.015 0.436 . . . . 0.0 110.043 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.427 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 42.7 tt0 -157.63 98.98 1.7 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.946 176.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.596 ' HZ3' HD11 ' A' ' 19' ' ' ILE . 63.4 t-105 -98.7 95.91 3.47 Favored Pre-proline 0 C--N 1.314 -0.942 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.006 173.297 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 42' ' ' GLU . 73.7 Cg_endo -76.84 -18.04 15.21 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.727 2.285 . . . . 0.0 112.663 -174.301 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.42 -166.0 1.43 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.444 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -133.65 172.71 12.39 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.27 -30.7 0.3 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.077 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.451 ' OD2' ' HG3' ' A' ' 49' ' ' ARG . 24.8 t70 71.58 -102.2 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 122.755 0.422 . . . . 0.0 110.371 173.562 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.451 ' HG3' ' OD2' ' A' ' 48' ' ' ASP . 86.2 mtm180 -77.07 -21.86 53.74 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.57 177.307 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.25 -33.53 75.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.428 0.632 . . . . 0.0 109.344 173.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -66.53 -43.64 84.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.817 174.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -66.05 -42.7 89.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.381 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -56.2 -44.07 79.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.886 177.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.05 -49.82 75.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.574 177.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.465 HD21 ' HB2' ' A' ' 39' ' ' LEU . 57.8 mt -59.08 -51.35 70.41 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.302 178.436 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -55.5 -47.66 75.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.196 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.2 mt -68.82 -37.67 79.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.237 -178.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.503 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 87.5 m -61.03 -45.15 95.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.667 0.27 . . . . 0.0 110.848 177.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.2 ttp85 -70.33 -34.82 73.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.707 0.289 . . . . 0.0 110.712 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.65 -28.62 67.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.92 0.39 . . . . 0.0 110.912 177.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.521 ' HB2' HG11 ' A' ' 32' ' ' VAL . 38.1 m -70.35 -36.0 73.91 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 174.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.683 HD23 HG12 ' A' ' 11' ' ' VAL . 90.0 mt -66.59 -29.53 69.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.056 176.304 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 84.9 mtp -73.51 -14.0 61.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.551 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.01 13.12 64.83 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.398 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -91.68 -49.96 6.01 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -178.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.0 t -84.19 128.53 38.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.501 -177.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.41 156.59 35.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.428 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.3 -42.18 81.87 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.777 -0.647 . . . . 0.0 113.313 -175.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -64.36 -48.93 73.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.639 0.257 . . . . 0.0 110.875 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.0 mt -56.16 -48.6 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.751 -178.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.85 -40.73 96.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.153 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.511 ' O ' HG23 ' A' ' 76' ' ' VAL . 10.4 ttt180 -67.99 -52.47 35.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.228 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.9 m -59.04 -39.06 80.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.883 0.373 . . . . 0.0 111.262 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.57 -32.32 71.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.966 178.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -72.41 -30.67 64.85 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 178.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 72' ' ' ARG . 99.5 t -62.3 -42.38 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.066 174.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.17 -37.36 85.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.544 176.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.18 -46.44 73.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.203 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.3 p -70.42 -23.09 62.68 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.926 0.393 . . . . 0.0 110.819 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -61.88 -45.03 95.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.07 174.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -77.75 -25.0 48.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.095 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.56 -58.09 7.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.414 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -173.52 -55.36 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.029 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 46.1 t -155.04 99.35 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.229 0.537 . . . . 0.0 110.678 -174.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.639 ' H ' HD23 ' A' ' 85' ' ' LEU . 2.3 pt? -64.28 143.08 58.16 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.859 172.268 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.567 ' HB2' ' O ' ' A' ' 18' ' ' THR . 95.2 mmm . . . . . 0 C--N 1.323 -0.586 0 CA-C-O 120.979 0.419 . . . . 0.0 110.878 -179.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 . . . . . 0 CA--C 1.518 -0.258 0 CA-C-O 120.707 0.289 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.673 HG13 ' HB ' ' A' ' 32' ' ' VAL . 7.2 p -126.57 119.71 54.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.542 0.687 . . . . 0.0 110.098 174.562 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.5 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 96.1 mttt -125.02 165.19 18.61 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.24 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.63 143.79 27.27 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -172.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -80.92 -25.12 37.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.125 172.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -126.54 106.04 23.78 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.038 176.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.88 139.73 84.59 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 123.074 2.516 . . . . 0.0 112.548 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.6 t -96.75 119.22 44.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.835 0.35 . . . . 0.0 110.785 -176.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.3 m -98.16 108.31 20.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.997 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.428 ' CG1' ' HE2' ' A' ' 29' ' ' PHE . 19.7 mm -98.3 114.37 35.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.085 178.186 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 p -81.36 106.69 13.52 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.306 177.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.9 mt -70.03 167.43 17.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.564 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -65.6 -13.39 58.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.331 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -84.51 6.43 23.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.642 177.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.57 32.83 67.42 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.894 -0.669 . . . . 0.0 111.594 -178.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -119.04 119.0 32.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.519 0.2 . . . . 0.0 111.05 -176.635 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 6.1 Cg_exo -75.22 108.24 2.66 Favored 'Trans proline' 0 N--CA 1.463 -0.265 0 C-N-CA 123.163 2.575 . . . . 0.0 111.891 176.328 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -102.85 112.06 24.68 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.3 mt -94.81 128.23 46.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.563 -172.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.428 ' HE2' ' CG1' ' A' ' 19' ' ' ILE . 36.4 m-85 -106.69 141.38 38.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.629 176.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -106.57 -21.14 13.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.062 0.458 . . . . 0.0 110.667 -177.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.5 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -127.94 157.46 21.1 Favored Glycine 0 N--CA 1.442 -0.924 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.673 ' HB ' HG13 ' A' ' 11' ' ' VAL . 54.5 t -68.6 -30.55 47.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.752 0.31 . . . . 0.0 110.861 -177.083 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -62.42 -41.04 98.41 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.829 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -59.48 -42.18 91.51 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.248 0.547 . . . . 0.0 110.1 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.538 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -65.65 -47.6 74.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.708 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -60.84 -47.93 84.12 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.938 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -58.3 -47.06 84.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.205 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -55.91 -47.46 77.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.196 178.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 95.5 mt -60.2 -41.25 92.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.445 -178.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -79.81 -26.92 40.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.337 -176.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -79.8 -63.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.115 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -150.82 80.82 1.33 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.313 0.578 . . . . 0.0 111.246 -176.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.526 ' HB2' ' HA ' ' A' ' 39' ' ' LEU . 32.1 t-105 -93.41 112.68 57.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.149 172.018 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 43' ' ' TRP . 17.8 Cg_exo -69.07 22.99 0.15 Allowed 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.725 2.95 . . . . 0.0 114.466 -175.105 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.422 ' HB3' ' NE1' ' A' ' 43' ' ' TRP . . . -135.1 115.66 13.68 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 44.4 mtm-85 -107.35 157.33 18.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.416 0.627 . . . . 0.0 111.642 -174.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.444 ' O ' ' HB3' ' A' ' 48' ' ' ASP . . . 170.25 -98.59 0.14 Allowed Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 175.297 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.444 ' HB3' ' O ' ' A' ' 47' ' ' GLY . 11.9 p-10 175.12 -49.81 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 122.804 0.442 . . . . 0.0 109.876 174.266 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.553 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 68.8 mtm-85 -62.26 -66.59 0.52 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.705 -178.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.56 74.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.858 0.361 . . . . 0.0 111.277 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.421 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 10.5 t60 -65.0 -44.84 87.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.995 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -67.11 -46.62 73.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.041 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.553 ' HG3' ' O ' ' A' ' 49' ' ' ARG . 96.4 mt-30 -54.67 -51.74 64.53 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 -178.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.81 -41.5 86.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.49 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 51' ' ' HIS . 89.3 mt -66.55 -45.04 80.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.081 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -65.74 -35.97 82.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.678 -177.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 93.6 mt -60.35 -49.23 78.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.678 177.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 44.9 m -67.14 -30.16 70.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.097 0.475 . . . . 0.0 110.743 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.9 ttt85 -70.98 -39.29 72.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.469 176.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.53 -38.4 89.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.436 ' OG ' HG11 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -64.64 -34.81 79.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.557 0.218 . . . . 0.0 111.128 176.807 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.67 HD23 HG12 ' A' ' 11' ' ' VAL . 47.7 mt -67.95 -19.13 64.93 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.109 0.481 . . . . 0.0 110.743 176.392 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 87.4 mtp -95.72 3.67 53.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.329 178.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.88 28.05 65.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.187 -0.53 . . . . 0.0 112.359 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -98.31 -58.37 1.99 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.137 0.494 . . . . 0.0 109.978 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.6 t -87.52 129.69 38.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.316 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -115.83 116.69 28.45 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -174.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 48.48 -102.88 0.06 OUTLIER Glycine 0 C--N 1.334 0.446 0 CA-C-N 115.264 -0.88 . . . . 0.0 115.269 167.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.468 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 7.6 mm-40 -57.61 -31.98 66.76 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -174.128 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 59.3 mt -60.53 -47.44 92.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.141 0.496 . . . . 0.0 110.071 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 75' ' ' PHE . . . -70.9 -36.62 72.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.46 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.468 ' HB3' ' HA ' ' A' ' 69' ' ' GLU . 7.6 tpp85 -58.97 -54.36 48.05 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.981 178.613 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 m -67.93 -35.83 79.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.122 0.487 . . . . 0.0 111.079 -176.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.97 -34.43 66.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.287 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.461 ' CE2' HD11 ' A' ' 39' ' ' LEU . 11.0 t80 -62.89 -40.95 99.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.125 0.488 . . . . 0.0 110.004 179.144 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 89.4 t -65.54 -37.68 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.525 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.9 -37.4 87.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.2 -40.07 68.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.141 0.496 . . . . 0.0 110.789 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.5 m -75.47 -10.41 59.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.874 -178.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -64.25 -25.84 68.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.121 -178.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -65.45 -26.93 68.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.936 0.398 . . . . 0.0 110.69 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.27 -22.47 25.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.969 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 63.04 24.67 14.63 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.05 177.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 38.3 t -119.25 74.86 1.01 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 84.9 mt -108.21 164.66 12.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.557 -174.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 8.5 mmm . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.145 177.485 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 t70 . . . . . 0 C--O 1.233 0.226 0 CA-C-O 121.311 0.577 . . . . 0.0 110.1 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.0 t -99.28 93.87 3.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.715 177.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.413 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 57.5 mttp -83.41 159.23 21.84 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.583 178.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -100.03 125.84 46.15 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 121.325 0.583 . . . . 0.0 111.257 -175.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -89.29 -19.43 25.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.265 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -128.28 88.53 52.4 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.545 173.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.401 ' HB3' ' O ' ' A' ' 29' ' ' PHE . 17.1 Cg_exo -67.54 171.15 12.32 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 123.41 2.74 . . . . 0.0 113.686 -172.015 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.9 t -122.28 136.59 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.674 177.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 m -96.92 104.55 16.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.27 -177.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.8 mm -100.4 117.06 45.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 t -89.05 122.5 32.45 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.1 mt -87.11 169.56 12.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.056 -177.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -56.84 -38.88 73.28 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.526 -171.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -70.3 -17.34 63.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.862 0.363 . . . . 0.0 111.487 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.35 38.4 3.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.802 -177.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.3 114.49 40.7 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-O 120.623 0.249 . . . . 0.0 110.643 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -75.32 105.04 2.01 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.959 2.439 . . . . 0.0 111.755 177.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.2 tpt85 -88.67 104.97 17.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.947 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.1 mt -86.34 114.58 26.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.421 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.401 ' O ' ' HB3' ' A' ' 16' ' ' PRO . 88.8 m-85 -83.5 117.76 23.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.214 0.531 . . . . 0.0 111.021 -178.104 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -86.99 -5.28 59.14 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.056 -175.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.413 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -163.04 158.65 31.02 Favored Glycine 0 N--CA 1.443 -0.86 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.721 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.513 HG11 ' HB3' ' A' ' 61' ' ' SER . 24.9 t -67.51 -28.2 41.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.22 0.534 . . . . 0.0 109.898 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.51 ' HA ' HD11 ' A' ' 62' ' ' LEU . 53.6 t80 -59.98 -40.2 88.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.415 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -65.97 -39.21 90.2 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.527 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.563 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -65.36 -48.91 71.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.803 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.481 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 67.1 t80 -58.87 -41.15 86.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.552 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -61.54 -55.26 32.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.554 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -52.51 -49.64 64.4 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.525 -0.762 . . . . 0.0 112.199 -176.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 65.6 mt -57.5 -25.97 60.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.212 -174.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -82.85 -57.84 3.14 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -175.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -76.26 -36.83 58.27 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.539 -0.465 . . . . 0.0 112.095 -174.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.445 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 19.7 tt0 -147.14 76.07 1.4 Allowed 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.498 -0.881 . . . . 0.0 112.228 -176.223 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -98.01 98.18 5.2 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 165.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.445 ' HD3' ' O ' ' A' ' 42' ' ' GLU . 21.1 Cg_exo -66.58 -16.89 52.18 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.034 2.489 . . . . 0.0 113.459 -173.036 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.76 174.63 7.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.984 0.421 . . . . 0.0 111.183 -178.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.3 mtm180 -129.7 -173.86 3.14 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.899 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 133.9 -18.38 4.28 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.888 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 69.39 -76.44 0.06 Allowed 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.192 0.597 . . . . 0.0 111.068 175.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.433 ' HA ' ' HB3' ' A' ' 52' ' ' GLU . 20.9 mtm-85 -64.22 -28.97 70.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.804 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.91 93.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.1 0.476 . . . . 0.0 110.409 176.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -74.37 -37.87 63.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.399 177.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.433 ' HB3' ' HA ' ' A' ' 49' ' ' ARG . 31.7 tt0 -56.1 -57.71 11.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.143 175.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.527 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 29.6 tt0 -61.03 -41.25 96.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.889 -178.287 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.16 -48.88 75.44 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.356 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.81 -45.21 87.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.905 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -55.96 -47.28 77.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.124 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 60.8 mt -62.61 -50.93 69.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.212 -178.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.481 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 60.8 m -64.0 -35.85 82.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.975 -178.088 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -63.01 -51.66 65.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.673 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.45 -34.14 76.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.285 -178.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.924 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 23.2 t -63.27 -33.69 76.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.15 -178.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' A' ' 33' ' ' TYR . 62.8 mt -96.32 2.57 52.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.593 -176.604 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 86.8 mtp -130.22 -49.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -173.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -150.25 70.08 0.31 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 119.443 -1.36 . . . . 0.0 114.581 -166.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.8 t70 73.41 85.98 0.11 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 164.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.924 ' HB ' ' HA ' ' A' ' 61' ' ' SER . 24.2 t -138.76 126.31 27.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.631 165.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.43 137.29 52.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.345 177.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.99 -45.62 80.65 Favored Glycine 0 N--CA 1.452 -0.252 0 CA-C-N 115.961 -0.563 . . . . 0.0 113.152 -175.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 72' ' ' ARG . 32.0 tt0 -71.16 -33.95 70.51 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 122.632 -0.334 . . . . 0.0 110.807 -177.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 62.3 mt -67.0 -45.0 88.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.34 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.422 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . . . -53.18 -39.75 63.87 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.097 174.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.428 ' HB3' ' O ' ' A' ' 69' ' ' GLU . 16.6 ttt180 -57.64 -55.15 38.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.072 177.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.0 m -61.22 -41.8 97.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.044 0.45 . . . . 0.0 110.861 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.494 ' HB1' HD13 ' A' ' 57' ' ' LEU . . . -66.0 -37.83 86.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.257 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -65.32 -37.64 87.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.467 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.3 t -66.34 -33.19 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.023 0.439 . . . . 0.0 110.279 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.56 -25.95 63.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 177.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.0 -44.27 15.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.619 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.7 p -77.35 -2.89 37.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.323 0.583 . . . . 0.0 110.667 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.621 ' HA ' HD11 ' A' ' 85' ' ' LEU . 45.2 ttt180 -56.66 -28.7 61.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.805 178.246 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -90.33 0.71 57.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.475 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.67 -18.01 34.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.56 0.219 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 71.9 5.05 5.24 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.547 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 82.6 m -123.36 76.95 1.44 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.34 0.591 . . . . 0.0 110.326 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.621 HD11 ' HA ' ' A' ' 80' ' ' ARG . 96.4 mt -106.58 127.77 53.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.857 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 93.2 mmm . . . . . 0 C--N 1.319 -0.721 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.771 -175.656 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 N--CA 1.466 0.328 0 CA-C-O 121.415 0.626 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.559 HG21 ' O ' ' A' ' 61' ' ' SER . 62.1 t -124.72 110.36 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.828 176.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -78.31 120.82 23.62 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.114 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.437 ' H ' ' HA2' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -81.88 124.1 29.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.028 -177.497 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -83.39 -20.0 34.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.24 0.543 . . . . 0.0 110.515 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.623 ' HD2' ' HG2' ' A' ' 69' ' ' GLU . 30.2 mtpp -100.23 111.92 63.25 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.409 174.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.15 149.09 46.01 Favored 'Trans proline' 0 C--O 1.238 0.484 0 C-N-CA 122.778 2.319 . . . . 0.0 111.926 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.475 HG22 ' HG3' ' A' ' 72' ' ' ARG . 6.0 t -120.18 88.88 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.221 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 27' ' ' ARG . 25.8 m -78.51 94.3 4.93 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 173.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.778 HD11 ' CZ3' ' A' ' 43' ' ' TRP . 12.2 tt -101.23 118.0 47.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.584 -176.527 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.428 ' HB3' ' SD ' ' A' ' 86' ' ' MET . 9.5 p -98.06 123.0 41.88 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.751 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.3 mp -94.24 153.58 17.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 177.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -60.37 -19.79 57.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.227 0.536 . . . . 0.0 110.438 177.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -69.92 -18.49 63.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.244 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.81 65.52 1.04 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.918 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -165.59 107.24 0.75 Allowed Pre-proline 0 C--N 1.326 -0.417 0 CA-C-O 120.5 0.19 . . . . 0.0 110.991 -177.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.436 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 7.0 Cg_endo -89.93 105.85 0.36 Allowed 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 123.496 2.798 . . . . 0.0 112.107 174.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.439 ' O ' ' HA ' ' A' ' 18' ' ' THR . 24.6 mtp85 -93.16 160.51 14.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.741 177.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.448 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 60.1 mt -126.33 105.95 15.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.678 175.393 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -73.32 135.85 44.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.853 0.359 . . . . 0.0 110.707 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -90.75 -15.89 29.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.198 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.437 ' HA2' ' H ' ' A' ' 13' ' ' TRP . . . -163.63 171.93 39.41 Favored Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.212 -178.509 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.575 HG11 ' HB2' ' A' ' 61' ' ' SER . 28.5 t -67.37 -27.74 39.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.965 0.412 . . . . 0.0 110.806 -177.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -59.61 -44.52 93.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.753 -176.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.45 -49.27 78.46 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.687 176.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.501 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -60.05 -46.95 87.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.742 -175.436 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -59.57 -45.52 91.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.061 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -69.85 -43.22 72.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.814 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -58.51 -42.89 88.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.25 -177.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.513 ' HA ' ' HB2' ' A' ' 43' ' ' TRP . 95.3 mt -61.14 -34.54 75.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.289 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -76.8 -28.24 55.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.898 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -68.94 -70.15 0.29 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.818 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -162.15 80.44 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.872 0.844 . . . . 0.0 111.361 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.778 ' CZ3' HD11 ' A' ' 19' ' ' ILE . 42.2 t-105 -92.21 116.17 65.99 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.239 173.075 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.662 ' HD2' ' CE3' ' A' ' 43' ' ' TRP . 68.2 Cg_exo -39.93 -45.76 3.8 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 124.398 3.398 . . . . 0.0 114.746 -175.476 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.432 ' HB3' ' NE1' ' A' ' 43' ' ' TRP . . . -80.04 103.15 9.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.935 0.397 . . . . 0.0 110.323 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.6 ptt85 -122.16 153.91 38.13 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.765 -175.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.96 -64.97 0.55 Allowed Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 119.848 -1.168 . . . . 0.0 113.779 168.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.469 ' CG ' ' H ' ' A' ' 49' ' ' ARG . 5.0 t70 -103.64 -166.15 1.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.537 0.684 . . . . 0.0 112.052 -164.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.469 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 56.3 mtm180 -68.02 -15.42 63.59 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.111 -0.949 . . . . 0.0 111.806 -173.393 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.66 -44.48 86.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.007 0.432 . . . . 0.0 110.186 177.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -70.16 -40.77 74.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.573 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -63.85 -48.03 78.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.409 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -64.02 -36.12 82.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.408 -178.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.33 -43.1 92.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.904 0.383 . . . . 0.0 110.336 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.64 -48.53 74.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.621 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -58.41 -44.03 88.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.213 -178.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.44 -50.41 73.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.763 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 63.4 m -62.89 -38.88 92.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.763 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -62.43 -49.39 75.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.582 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.454 ' HB1' ' HB3' ' A' ' 65' ' ' ASP . . . -66.91 -33.25 75.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.012 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.575 ' HB2' HG11 ' A' ' 32' ' ' VAL . 52.5 m -65.3 -36.29 83.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.751 177.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 82.2 mt -68.08 -11.79 59.68 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.832 0.349 . . . . 0.0 111.165 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.4 mmm -106.03 8.94 32.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.322 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.37 21.87 76.12 Favored Glycine 0 C--N 1.332 0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.807 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.454 ' HB3' ' HB1' ' A' ' 60' ' ' ALA . 11.5 t70 -87.36 -48.57 7.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.109 0.48 . . . . 0.0 110.495 -177.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.403 ' HB ' ' OG ' ' A' ' 61' ' ' SER . 72.6 t -90.76 134.59 29.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.463 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.67 148.53 51.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.309 175.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.37 -45.28 89.24 Favored Glycine 0 CA--C 1.518 0.245 0 CA-C-N 115.971 -0.558 . . . . 0.0 113.589 -173.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.623 ' HG2' ' HD2' ' A' ' 15' ' ' LYS . 39.7 mt-10 -68.3 -41.63 80.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.887 0.343 . . . . 0.0 110.957 -177.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 65.3 mt -55.1 -50.2 65.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.893 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.57 91.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.896 -177.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.475 ' HG3' HG22 ' A' ' 17' ' ' VAL . 1.4 ttp180 -71.84 -36.27 70.13 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.585 -172.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.0 m -69.02 -43.64 74.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.869 0.366 . . . . 0.0 110.419 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.28 -29.29 68.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.087 0.47 . . . . 0.0 110.554 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.407 ' CE1' HD12 ' A' ' 19' ' ' ILE . 50.9 t80 -59.71 -45.79 91.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.037 175.423 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 64.8 t -64.69 -33.08 60.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.546 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.75 98.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.683 176.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.69 -24.74 61.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.145 0.498 . . . . 0.0 110.773 177.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.701 ' HA ' ' HZ2' ' A' ' 43' ' ' TRP . 38.9 m -70.06 -17.83 63.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.02 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.695 ' HG2' HD11 ' A' ' 85' ' ' LEU . 98.3 mtt180 -67.43 -23.06 65.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.357 -176.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -72.56 -24.6 61.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.927 0.394 . . . . 0.0 110.603 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.71 -14.31 58.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.048 0.451 . . . . 0.0 109.944 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 61.56 26.4 16.12 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.323 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 51.3 m -127.16 79.7 1.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.021 177.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.695 HD11 ' HG2' ' A' ' 80' ' ' ARG . 96.3 mt -100.08 135.58 41.29 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.865 -175.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.428 ' SD ' ' HB3' ' A' ' 20' ' ' SER . 80.1 mtp . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.281 170.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 . . . . . 0 C--O 1.234 0.242 0 CA-C-O 121.788 0.804 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.6 t -96.39 139.94 18.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.293 -174.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.0 mtmt -90.8 18.55 6.38 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.097 -176.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.405 ' CZ3' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER 63.83 -172.97 0.17 Allowed 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.231 -179.862 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.699 ' HB2' ' HD2' ' A' ' 15' ' ' LYS . 35.2 mt-10 -110.14 -61.9 1.59 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 171.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.699 ' HD2' ' HB2' ' A' ' 14' ' ' GLU . 5.3 mptt -108.64 122.28 40.7 Favored Pre-proline 0 N--CA 1.448 -0.554 0 CA-C-N 114.4 -1.273 . . . . 0.0 109.11 177.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.32 154.49 46.54 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 123.229 2.619 . . . . 0.0 112.593 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.552 HG22 ' HG3' ' A' ' 72' ' ' ARG . 61.5 t -104.56 127.77 58.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.855 -178.199 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.3 m -105.56 101.62 11.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.587 175.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' A' ' 26' ' ' PRO . 12.6 tt -98.31 116.08 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.24 0.543 . . . . 0.0 110.415 -176.193 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.1 t -82.36 119.74 24.54 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.504 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.4 mt -89.3 -177.57 5.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.139 -177.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -59.55 -33.26 71.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.514 . . . . 0.0 112.157 -173.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -85.24 3.99 36.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.585 0.231 . . . . 0.0 111.102 -178.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.26 9.72 81.49 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.037 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.472 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -88.65 116.64 66.85 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 120.487 0.184 . . . . 0.0 110.598 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.51 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 17.7 Cg_endo -90.36 114.91 0.51 Allowed 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.238 2.625 . . . . 0.0 112.732 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -94.74 128.2 41.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.155 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 63.2 mt -101.47 122.31 53.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.481 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -93.68 139.12 31.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.42 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -86.18 -24.49 26.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.694 -177.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.76 -178.86 25.1 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 111.603 -0.599 . . . . 0.0 111.603 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.567 HG11 ' HB3' ' A' ' 61' ' ' SER . 15.7 t -72.98 -29.14 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.763 0.316 . . . . 0.0 110.997 -176.041 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -62.58 -46.39 88.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.83 -177.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -60.49 -35.56 76.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -67.75 -49.27 63.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.821 178.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.421 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 91.8 t80 -63.37 -38.45 91.18 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.45 178.375 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -64.9 -44.11 90.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.558 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -59.62 -41.67 90.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.751 178.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 95.2 mt -59.86 -31.1 69.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.247 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -87.24 -32.54 19.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.877 -177.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -94.44 -78.4 0.44 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.861 0.362 . . . . 0.0 111.958 -176.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -107.77 33.41 4.09 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.099 0.778 . . . . 0.0 113.099 -167.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.439 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 76.3 t-105 -64.32 108.4 1.9 Allowed Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 170.346 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 43' ' ' TRP . 68.8 Cg_endo -94.66 30.01 0.23 Allowed 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 123.494 2.796 . . . . 0.0 114.103 -167.46 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -150.14 -177.01 5.68 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -92.4 -138.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 174.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.92 -51.34 0.83 Allowed Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 -175.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.468 ' HB3' ' H ' ' A' ' 49' ' ' ARG . 1.5 t70 60.82 -88.7 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 114.039 -1.08 . . . . 0.0 111.424 171.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.468 ' H ' ' HB3' ' A' ' 48' ' ' ASP . 50.3 mmm-85 -64.58 -48.94 73.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.488 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.17 -28.85 68.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.174 0.512 . . . . 0.0 110.758 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.479 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 78.3 t60 -64.43 -40.84 96.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.093 178.337 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 48' ' ' ASP . 44.6 mt-10 -66.95 -39.71 87.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.841 178.202 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.508 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 80.2 mt-30 -61.41 -44.46 97.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.344 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.96 -39.93 87.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.916 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 51' ' ' HIS . 96.0 mt -61.24 -46.79 88.94 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 177.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -59.22 -43.89 92.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.516 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 73.2 mt -65.9 -48.66 70.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.318 -177.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.421 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 64.7 m -62.03 -40.63 96.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.733 0.301 . . . . 0.0 110.621 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -65.93 -40.98 91.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.25 -32.67 73.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.032 0.444 . . . . 0.0 110.771 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.567 ' HB3' HG11 ' A' ' 32' ' ' VAL . 22.8 t -69.4 -32.7 71.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.91 176.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.2 mt -73.48 -4.5 34.15 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-O 121.113 0.482 . . . . 0.0 110.849 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 82.3 mtp -100.73 -13.78 18.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.001 174.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.57 0.31 64.83 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.028 -0.606 . . . . 0.0 113.093 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -84.71 -13.84 50.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.012 0.434 . . . . 0.0 111.152 -177.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.498 HG13 ' HB ' ' A' ' 70' ' ' ILE . 86.8 t -113.74 111.39 35.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.856 176.517 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.65 89.7 6.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.236 -175.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.51 -91.01 0.01 OUTLIER Glycine 0 CA--C 1.522 0.47 0 O-C-N 124.068 0.855 . . . . 0.0 115.151 167.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -43.87 -44.7 7.13 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 123.995 0.918 . . . . 0.0 112.846 -174.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.498 ' HB ' HG13 ' A' ' 66' ' ' VAL . 60.5 mt -55.77 -45.57 79.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.997 0.427 . . . . 0.0 111.327 -177.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.04 -34.16 71.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.552 ' HG3' HG22 ' A' ' 17' ' ' VAL . 13.9 ttp180 -68.91 -49.52 57.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 110.727 -178.028 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.4 p -65.02 -41.19 95.54 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.208 -178.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.82 -35.12 76.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.363 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -63.43 -42.83 98.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.987 0.422 . . . . 0.0 110.523 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 66.9 t -65.06 -35.07 74.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.296 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.77 -28.29 68.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.028 177.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.24 -36.39 58.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.967 0.413 . . . . 0.0 110.673 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.7 t -70.26 -10.4 58.81 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.32 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -59.11 -43.1 91.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.547 176.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -76.93 -9.37 58.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.22 -177.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.21 -3.92 57.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.11 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 65.39 27.24 11.92 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.778 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 35.7 t -154.98 99.42 2.11 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 121.545 0.688 . . . . 0.0 110.129 -176.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 97.4 mt -103.7 168.15 9.33 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.08 -0.963 . . . . 0.0 109.942 175.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 57.0 ttp . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 121.312 0.577 . . . . 0.0 110.231 177.689 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 CA--C 1.519 -0.221 0 CA-C-O 120.842 0.353 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.706 HG22 HD23 ' A' ' 62' ' ' LEU . 12.0 m -85.45 111.48 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 CA-C-O 121.416 0.626 . . . . 0.0 109.681 177.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.428 ' H ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -82.97 152.28 25.52 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.668 -177.656 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.13 140.96 34.72 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.778 0.323 . . . . 0.0 110.622 -179.282 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -68.87 -32.13 71.57 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 174.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -133.21 108.88 12.52 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.261 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -50.69 148.92 14.84 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 123.514 2.809 . . . . 0.0 112.901 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.543 HG22 ' HG3' ' A' ' 72' ' ' ARG . 39.3 t -113.21 129.82 68.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.72 -177.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.762 HG22 HG12 ' A' ' 28' ' ' ILE . 2.0 p -99.57 97.58 8.55 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.942 0.401 . . . . 0.0 110.44 176.124 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.946 HD11 ' HZ3' ' A' ' 43' ' ' TRP . 6.3 tt -88.52 106.27 16.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.69 0.757 . . . . 0.0 109.931 -175.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.487 ' HB3' ' O ' ' A' ' 84' ' ' CYS . 8.5 t -78.5 111.05 14.14 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.857 -176.616 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.2 mt -87.54 154.88 20.27 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.66 176.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -61.03 -16.39 42.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.208 0.528 . . . . 0.0 110.874 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -64.05 -20.27 65.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.474 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.5 32.68 4.44 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.237 175.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -156.56 122.54 2.52 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 117.037 0.418 . . . . 0.0 111.214 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.687 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 2.0 Cg_endo -84.41 114.36 1.8 Allowed 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.954 2.436 . . . . 0.0 112.027 172.263 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -83.73 140.07 32.34 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.762 HG12 HG22 ' A' ' 18' ' ' THR . 21.8 mt -96.14 112.52 28.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.495 -177.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -82.96 143.94 30.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.858 0.361 . . . . 0.0 110.396 177.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -97.04 -29.83 13.41 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.312 0.577 . . . . 0.0 109.986 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.62 162.65 28.27 Favored Glycine 0 N--CA 1.44 -1.065 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.575 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.523 HG11 ' HB2' ' A' ' 61' ' ' SER . 7.0 t -68.18 -21.35 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.331 0.586 . . . . 0.0 110.099 -178.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -60.29 -43.99 95.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.293 178.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -66.78 -42.64 85.7 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.346 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.55 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -60.33 -50.82 72.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.907 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.541 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 77.2 t80 -54.33 -47.17 72.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.888 178.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -66.36 -45.66 79.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.307 -177.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -60.24 -39.76 87.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.672 0.273 . . . . 0.0 111.25 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.0 mt -61.74 -23.62 66.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.477 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -89.99 -26.85 20.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.935 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -73.84 -62.94 1.32 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.219 -176.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -160.19 79.0 0.67 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.408 0.623 . . . . 0.0 112.154 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.946 ' HZ3' HD11 ' A' ' 19' ' ' ILE . 60.7 t-105 -84.16 108.54 14.55 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.004 172.077 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -88.04 33.79 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.243 2.629 . . . . 0.0 113.776 -170.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.478 ' HB3' ' CE2' ' A' ' 43' ' ' TRP . . . -129.74 113.92 15.32 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.963 0.411 . . . . 0.0 110.534 178.327 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -77.65 130.59 37.03 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.304 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.95 -29.03 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.083 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 72.29 -74.46 0.09 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.977 0.511 . . . . 0.0 112.35 175.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -66.1 -44.25 84.92 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -170.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.64 -37.46 87.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.408 . . . . 0.0 110.528 177.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -68.57 -39.76 80.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.027 177.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -61.51 -44.33 97.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.917 177.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.499 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 8.0 tt0 -62.11 -46.17 90.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.374 177.521 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.89 -45.32 74.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.589 -178.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.1 mp -62.65 -44.78 95.4 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.762 0.315 . . . . 0.0 110.989 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.6 ttp85 -61.0 -46.38 91.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.704 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 73.2 mt -58.18 -49.37 77.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.844 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.541 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 79.1 m -65.87 -39.94 91.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.423 -176.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -68.31 -40.19 81.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.789 0.328 . . . . 0.0 110.273 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.65 -31.65 72.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.689 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.523 ' HB2' HG11 ' A' ' 32' ' ' VAL . 30.6 m -67.58 -38.15 83.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.181 175.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.706 HD23 HG22 ' A' ' 11' ' ' VAL . 95.0 mt -65.56 -28.63 69.29 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.232 0.539 . . . . 0.0 110.021 176.166 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 88.1 mtp -81.73 1.03 36.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.668 177.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.94 13.85 80.58 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.645 178.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -85.89 -43.75 12.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.105 0.479 . . . . 0.0 110.436 -175.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.463 HG13 ' HB ' ' A' ' 70' ' ' ILE . 61.8 t -100.53 115.66 42.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.06 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.23 89.65 8.01 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -175.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 63.88 -92.56 0.11 Allowed Glycine 0 CA--C 1.522 0.485 0 N-CA-C 115.259 0.864 . . . . 0.0 115.259 166.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -67.46 -28.9 68.26 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 113.097 0.776 . . . . 0.0 113.097 -167.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.463 ' HB ' HG13 ' A' ' 66' ' ' VAL . 59.0 mt -57.98 -48.95 82.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.289 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.403 ' HB2' HG11 ' A' ' 66' ' ' VAL . . . -68.95 -37.02 78.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.423 177.478 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.543 ' HG3' HG22 ' A' ' 17' ' ' VAL . 31.1 ttt-85 -57.29 -54.16 49.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.898 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.8 m -63.48 -39.85 95.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.252 -177.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.44 -33.62 73.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.025 179.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -66.88 -37.58 84.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.217 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 72' ' ' ARG . 90.4 t -63.02 -41.12 91.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.334 177.134 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.07 -36.87 85.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.88 72.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.393 176.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.5 m -66.05 -21.25 66.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.735 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.825 ' HG3' HD21 ' A' ' 85' ' ' LEU . 50.9 ttt180 -67.9 -22.44 65.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.84 0.352 . . . . 0.0 110.45 178.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -71.79 -25.71 62.12 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.13 -8.21 57.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.169 175.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 66.52 20.35 10.85 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.112 177.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.487 ' O ' ' HB3' ' A' ' 20' ' ' SER . 56.1 m -135.82 86.19 2.22 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.825 HD21 ' HG3' ' A' ' 80' ' ' ARG . 3.7 mm? -78.24 166.79 22.3 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.645 179.078 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.627 ' HG2' ' O ' ' A' ' 18' ' ' THR . 65.3 mtm . . . . . 0 C--N 1.332 -0.167 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.804 174.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 . . . . . 0 CA--C 1.514 -0.429 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.1 t -90.21 105.79 16.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -64.59 144.33 57.29 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.006 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -86.8 117.43 25.54 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 172.45 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -60.35 -33.78 72.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.208 -175.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.9 tttm -125.28 100.22 32.84 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 168.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -46.85 140.58 12.84 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.817 3.011 . . . . 0.0 113.607 -174.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.0 t -101.0 126.28 54.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.665 -178.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.52 ' O ' ' HB2' ' A' ' 86' ' ' MET . 11.9 m -103.66 117.4 34.3 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.732 177.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.664 HD11 ' HZ3' ' A' ' 43' ' ' TRP . 13.3 tt -107.93 149.35 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -177.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.513 ' HB2' ' HG2' ' A' ' 86' ' ' MET . 22.9 t -103.89 104.57 14.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.829 0.347 . . . . 0.0 110.356 -177.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.4 mp -71.2 167.42 19.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.588 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -64.22 -17.9 64.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.407 0.622 . . . . 0.0 109.885 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -64.35 -21.89 66.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.422 176.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.4 33.88 21.51 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -172.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.458 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -129.87 135.45 27.52 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.405 -0.398 . . . . 0.0 110.813 -176.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 2.5 Cg_endo -85.3 118.6 1.96 Allowed 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.291 2.66 . . . . 0.0 111.773 176.418 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -106.33 126.29 52.05 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 51.6 mt -97.0 117.57 41.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.929 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -91.35 123.85 35.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.823 176.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -91.51 -21.22 21.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.236 0.541 . . . . 0.0 109.766 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -136.96 155.74 22.89 Favored Glycine 0 N--CA 1.443 -0.839 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.369 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.582 HG11 ' HB2' ' A' ' 61' ' ' SER . 46.8 t -62.72 -31.61 52.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.78 0.324 . . . . 0.0 110.913 -178.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -60.93 -42.8 98.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.193 -178.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.23 -42.15 90.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.066 0.46 . . . . 0.0 110.669 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.598 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -72.56 -43.96 62.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.096 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -59.8 -35.06 73.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.965 -178.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -69.19 -46.25 67.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.971 0.415 . . . . 0.0 109.961 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -59.44 -41.94 90.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.503 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 84.6 mt -65.94 -18.4 65.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.072 -176.398 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -100.84 -0.64 36.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.155 0.502 . . . . 0.0 110.303 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -109.22 -61.65 1.6 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.195 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -140.22 60.69 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.006 -171.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.664 ' HZ3' HD11 ' A' ' 19' ' ' ILE . 75.0 t-105 -81.58 104.08 2.7 Favored Pre-proline 0 C--N 1.329 -0.326 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 168.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -66.57 -38.26 19.6 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 123.216 2.61 . . . . 0.0 114.446 -165.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.648 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . . . -95.2 148.56 22.26 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.05 0.453 . . . . 0.0 111.308 -174.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 46' ' ' ARG . 48.3 mtm180 -81.34 -168.5 1.87 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.731 177.141 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.429 ' HA3' ' HB3' ' A' ' 50' ' ' ALA . . . 142.32 -18.45 2.48 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.833 -178.159 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.8 t0 63.63 -81.38 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.031 0.532 . . . . 0.0 111.322 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 68.0 mtp85 -74.07 -20.76 60.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.619 0.247 . . . . 0.0 110.453 178.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.429 ' HB3' ' HA3' ' A' ' 47' ' ' GLY . . . -66.77 -40.71 88.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.217 0.532 . . . . 0.0 109.586 172.369 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -70.1 -43.56 70.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.218 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -61.5 -43.9 98.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.204 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.45 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 50.5 tt0 -60.57 -40.34 91.3 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.643 0.259 . . . . 0.0 110.826 -178.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.494 ' HB1' HD13 ' A' ' 39' ' ' LEU . . . -57.85 -48.05 80.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.821 178.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.3 mp -70.37 -37.25 74.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.56 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.9 tpp85 -53.21 -52.22 59.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.921 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 64.5 mt -65.57 -48.7 71.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.4 -176.465 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 63.2 m -64.83 -34.76 79.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.325 -177.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -62.97 -42.28 99.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.886 0.374 . . . . 0.0 110.469 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.87 -26.49 57.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.132 0.491 . . . . 0.0 111.053 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.582 ' HB2' HG11 ' A' ' 32' ' ' VAL . 44.9 m -74.2 -34.34 63.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.4 mt -70.33 -12.72 61.78 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.794 0.331 . . . . 0.0 111.006 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 66.6 mtt -82.05 -14.89 55.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.002 175.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.25 5.77 79.34 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.247 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -82.57 -39.54 22.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.792 0.33 . . . . 0.0 110.853 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.9 t -90.17 124.34 42.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 177.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.09 98.64 10.21 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -172.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.95 -100.72 0.05 OUTLIER Glycine 0 CA--C 1.52 0.348 0 N-CA-C 115.118 0.807 . . . . 0.0 115.118 167.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.41 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 46.5 mt-10 -62.34 -28.11 69.52 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 -172.724 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 66.0 mt -59.15 -44.65 92.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.18 0.514 . . . . 0.0 109.659 175.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.59 -36.59 76.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.641 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.57 ' O ' HG23 ' A' ' 76' ' ' VAL . 10.1 ttt180 -59.59 -58.12 9.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.936 -179.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.4 m -62.93 -36.78 84.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.384 -176.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.89 -41.87 86.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.624 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -63.12 -38.62 91.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.184 177.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.6 HG13 HD22 ' A' ' 85' ' ' LEU . 92.6 t -60.7 -37.72 76.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.59 177.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.08 89.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.95 0.405 . . . . 0.0 110.935 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.07 -47.91 40.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.973 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.428 ' HB2' ' O ' ' A' ' 84' ' ' CYS . 6.2 p -67.78 -23.6 65.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.764 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -59.58 -45.68 91.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.496 174.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -62.5 -35.01 78.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.538 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.648 ' HB1' ' HB3' ' A' ' 45' ' ' ALA . . . -88.57 -3.64 58.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.351 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 60.23 56.6 3.21 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.371 0.605 . . . . 0.0 111.348 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 79' ' ' SER . 51.0 t -136.73 80.74 1.84 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.216 176.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.6 HD22 HG13 ' A' ' 76' ' ' VAL . 95.1 mt -130.47 136.03 48.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.843 -173.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.52 ' HB2' ' O ' ' A' ' 18' ' ' THR . 86.9 mmm . . . . . 0 C--N 1.323 -0.573 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 169.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.3 t70 . . . . . 0 N--CA 1.464 0.257 0 CA-C-O 121.323 0.582 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.658 HG13 ' HB ' ' A' ' 32' ' ' VAL . 2.7 p -130.32 93.89 2.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.047 172.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.568 ' HE2' ' HB3' ' A' ' 30' ' ' ASN . 41.3 tttm -75.96 141.72 42.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.128 -174.526 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.415 ' H ' ' HA2' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -77.39 136.01 38.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.412 -173.631 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.452 ' HG2' ' HA3' ' A' ' 68' ' ' GLY . 10.2 pt-20 -64.34 -39.7 94.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.485 173.237 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 54.8 mttp -128.34 100.66 22.61 Favored Pre-proline 0 N--CA 1.447 -0.605 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.088 178.461 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -47.64 154.87 1.64 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.937 3.091 . . . . 0.0 113.716 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.562 HG22 ' HG3' ' A' ' 72' ' ' ARG . 53.1 t -126.86 127.89 70.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.243 -172.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.437 HG23 HG12 ' A' ' 28' ' ' ILE . 13.1 m -108.35 126.31 52.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.146 177.042 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.7 tt -119.0 144.41 27.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.496 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.0 t -104.61 134.82 47.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.771 0.32 . . . . 0.0 110.684 176.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.2 mp -84.54 176.66 8.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.198 172.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -59.46 -29.79 68.06 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -174.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -93.64 1.23 56.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.157 0.503 . . . . 0.0 110.372 -174.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.23 71.9 1.3 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.153 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.35 110.06 8.93 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -74.84 109.24 2.88 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.944 2.429 . . . . 0.0 112.794 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 -100.45 120.67 40.34 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.59 172.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.437 HG12 HG23 ' A' ' 18' ' ' THR . 53.7 mt -106.94 124.69 62.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -177.712 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -102.49 136.47 42.25 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.932 -178.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.568 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . 28.5 m-80 -84.18 -19.47 34.02 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.392 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.415 ' HA2' ' H ' ' A' ' 13' ' ' TRP . . . -158.02 177.69 34.64 Favored Glycine 0 N--CA 1.439 -1.12 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.219 -178.306 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.658 ' HB ' HG13 ' A' ' 11' ' ' VAL . 47.8 t -62.91 -39.81 86.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 C-N-CA 123.075 0.55 . . . . 0.0 111.077 -176.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -60.26 -41.04 92.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.97 -172.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -64.07 -36.64 84.68 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.48 178.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.6 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -64.88 -43.25 93.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.459 176.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.458 ' HA ' HD12 ' A' ' 39' ' ' LEU . 85.1 t80 -62.95 -43.06 99.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.09 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -66.21 -40.97 90.73 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.417 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -60.21 -45.27 93.75 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.413 175.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 95.0 mt -54.32 -31.6 54.62 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.732 178.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -87.52 -33.0 19.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.196 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -87.32 -90.38 0.12 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.064 -173.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -98.86 24.66 7.41 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -169.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.541 ' HB2' ' HA ' ' A' ' 39' ' ' LEU . 70.4 t-105 -75.24 108.9 6.32 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 174.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -93.39 -0.0 3.43 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.096 2.531 . . . . 0.0 113.652 -173.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 82' ' ' ALA . . . -82.78 105.97 14.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.254 0.55 . . . . 0.0 111.245 -176.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 46' ' ' ARG . 42.4 mtm-85 -80.34 152.56 28.88 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.246 178.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 157.32 -26.53 0.48 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.639 -177.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 t70 73.48 -71.69 0.13 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.674 0.789 . . . . 0.0 111.897 174.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.419 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 78.8 mtm180 -61.64 -50.83 70.94 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 121.281 -0.168 . . . . 0.0 111.264 -178.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.24 -32.58 68.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.284 0.564 . . . . 0.0 110.506 176.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -68.54 -46.53 69.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.354 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -62.88 -37.15 85.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.279 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.525 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 90.2 mt-30 -57.71 -45.28 85.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.741 0.305 . . . . 0.0 110.523 178.464 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.32 92.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.469 HD12 HD13 ' A' ' 39' ' ' LEU . 10.9 mp -67.26 -41.31 85.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.805 178.472 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.0 tpt85 -58.95 -42.05 88.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.818 178.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 44.8 mt -64.64 -43.79 92.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.529 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.492 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 84.1 m -68.25 -42.58 79.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.825 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.49 ' O ' ' HG3' ' A' ' 63' ' ' MET . 41.8 ttm180 -62.55 -38.1 88.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.665 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.86 -36.41 83.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.193 0.521 . . . . 0.0 110.609 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.568 ' HB2' HG11 ' A' ' 32' ' ' VAL . 20.1 m -71.9 -35.02 69.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.36 178.265 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 95.1 mt -67.39 -26.53 66.49 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.355 177.131 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.49 ' HG3' ' O ' ' A' ' 59' ' ' ARG . 89.7 mtp -69.48 -26.43 64.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.245 0.545 . . . . 0.0 109.697 173.218 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.49 6.54 57.42 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.439 -0.8 . . . . 0.0 113.318 175.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -106.38 24.92 11.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.501 0.65 . . . . 0.0 110.813 -175.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.454 ' HB ' ' HA ' ' A' ' 61' ' ' SER . 78.6 t -132.59 133.83 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.44 177.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.01 148.88 35.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.849 173.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.452 ' HA3' ' HG2' ' A' ' 14' ' ' GLU . . . -56.73 -49.85 67.5 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 116.114 -0.493 . . . . 0.0 113.736 -172.362 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -65.77 -25.9 67.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.019 0.41 . . . . 0.0 111.913 -175.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.4 mt -62.2 -52.44 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 176.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.23 -37.09 84.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.125 175.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.562 ' HG3' HG22 ' A' ' 17' ' ' VAL . 38.5 ttp85 -60.03 -48.82 80.15 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.78 0.324 . . . . 0.0 111.03 -179.205 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.6 m -62.1 -44.84 95.77 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.839 -177.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.74 -27.43 64.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.509 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -69.62 -34.03 73.48 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.982 0.42 . . . . 0.0 110.083 178.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.8 t -67.85 -35.67 73.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.285 0.564 . . . . 0.0 109.802 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.44 90.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.747 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.74 -42.11 82.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.236 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.8 p -71.96 -16.65 62.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.929 0.395 . . . . 0.0 111.156 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 80' ' ' ARG . 41.4 ttt-85 -67.71 -33.08 74.17 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.215 175.302 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? -64.29 -36.84 85.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.321 0.582 . . . . 0.0 109.752 177.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . . . -77.98 -8.27 57.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.676 176.509 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 61.34 23.71 13.91 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.727 -177.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 67.7 m -117.78 75.43 0.99 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.374 0.607 . . . . 0.0 110.248 -177.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 97.1 mt -94.54 148.47 22.22 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.458 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 12.5 tpt . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.433 0.635 . . . . 0.0 109.661 177.7 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 121.72 0.771 . . . . 0.0 111.761 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.616 HG23 ' HB ' ' A' ' 32' ' ' VAL . 1.3 m -84.87 110.52 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 168.331 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -75.05 129.56 37.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.415 -172.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.75 141.4 37.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.426 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -79.25 -64.35 1.21 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 175.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' A' ' 15' ' ' LYS . 21.1 mmtt -99.2 108.48 50.09 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.368 169.032 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.438 ' HB3' ' HA ' ' A' ' 30' ' ' ASN . 57.3 Cg_endo -70.29 166.66 27.53 Favored 'Trans proline' 0 CA--C 1.528 0.22 0 C-N-CA 123.433 2.755 . . . . 0.0 113.212 -176.105 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.478 HG22 ' HG3' ' A' ' 72' ' ' ARG . 46.0 t -104.39 132.86 50.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.594 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.8 m -102.67 110.25 22.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.879 0.371 . . . . 0.0 111.038 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.435 ' CG1' ' HE2' ' A' ' 29' ' ' PHE . 29.2 mm -111.48 114.34 46.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.24 177.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.5 p -90.49 123.4 34.15 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.66 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.2 mt -82.95 176.57 9.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.642 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -58.41 -28.96 65.72 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.058 0.456 . . . . 0.0 111.686 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -75.33 -2.46 28.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.337 -177.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.31 26.44 57.39 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.519 -176.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.422 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -105.88 110.58 64.24 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 120.715 0.293 . . . . 0.0 110.546 -178.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 4.8 Cg_exo -78.98 107.92 2.31 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 123.374 2.716 . . . . 0.0 112.183 178.012 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -88.03 122.42 31.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.68 174.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.1 mt -104.52 109.23 26.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.761 -178.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.573 ' HD1' ' HG2' ' A' ' 34' ' ' GLU . 35.5 m-85 -90.45 111.6 22.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.594 -175.553 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.438 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 34.1 m-80 -95.4 8.35 43.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.754 -177.149 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -147.08 141.38 9.33 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 176.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.616 ' HB ' HG23 ' A' ' 11' ' ' VAL . 57.3 t -61.91 -37.22 77.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 117.057 0.428 . . . . 0.0 110.93 -177.385 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -60.43 -36.7 78.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.857 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.573 ' HG2' ' HD1' ' A' ' 29' ' ' PHE . 85.2 tt0 -63.48 -40.73 97.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.931 0.396 . . . . 0.0 110.303 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.55 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -66.63 -44.64 81.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.353 176.547 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.444 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 92.9 t80 -58.32 -45.6 87.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.654 178.006 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -60.76 -47.37 86.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.404 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -56.98 -44.95 83.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.556 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.1 mt -60.61 -30.58 69.92 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.833 -177.551 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -96.9 -8.86 29.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.814 0.34 . . . . 0.0 111.569 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -93.14 -69.36 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.889 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -144.15 77.31 1.54 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.917 0.389 . . . . 0.0 111.63 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.422 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 61.9 t-105 -82.23 121.65 78.8 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 170.251 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 43' ' ' TRP . 17.2 Cg_exo -69.2 36.71 0.21 Allowed 'Trans proline' 0 N--CA 1.481 0.776 0 C-N-CA 123.479 2.786 . . . . 0.0 113.637 -178.397 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -169.36 172.96 6.86 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -75.77 -82.36 0.07 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 172.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.909 ' HA3' ' HB2' ' A' ' 51' ' ' HIS . . . 124.71 -49.17 0.92 Allowed Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.727 171.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.548 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 9.8 m-20 51.9 -120.66 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.905 0.415 . . . . 0.0 110.649 -177.352 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 49' ' ' ARG . 43.5 ttm180 -56.86 -45.18 82.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.673 0.273 . . . . 0.0 110.864 -178.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.38 84.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -176.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.909 ' HB2' ' HA3' ' A' ' 47' ' ' GLY . 57.9 t-80 -71.19 -44.81 64.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.268 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.622 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 11.0 mm-40 -68.95 -45.34 71.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.865 -177.011 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.483 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 92.6 mt-30 -56.37 -44.15 79.88 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-O 120.545 0.212 . . . . 0.0 110.757 176.272 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.3 -45.57 84.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.025 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.41 HD11 ' CE1' ' A' ' 51' ' ' HIS . 94.1 mt -61.72 -43.64 98.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.649 178.333 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.622 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 73.9 mtp180 -63.75 -39.71 94.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.855 -179.141 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 83.2 mt -65.21 -42.27 93.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.763 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.444 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 75.3 m -64.41 -38.95 92.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.507 177.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' A' ' 63' ' ' MET . 39.0 mtp85 -67.69 -38.51 83.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.98 179.007 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.48 -34.33 75.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.149 0.499 . . . . 0.0 110.562 176.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 19.8 m -68.53 -37.8 80.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.41 177.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 88.9 mt -73.09 -6.67 47.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.077 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.464 ' HG3' ' O ' ' A' ' 59' ' ' ARG . 66.7 mtt -98.86 -20.63 16.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.817 178.052 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.79 5.19 55.38 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.885 -175.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -78.25 -32.37 49.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.42 0.628 . . . . 0.0 109.466 177.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 61' ' ' SER . 48.5 t -125.58 131.77 71.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.306 175.464 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.54 -30.83 61.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.296 0.57 . . . . 0.0 110.481 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.415 ' H ' HG12 ' A' ' 66' ' ' VAL . . . 135.42 -24.92 3.33 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.802 177.675 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.429 ' HG3' ' H ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -64.37 -47.98 77.22 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.796 0.331 . . . . 0.0 111.15 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 71.7 mt -66.14 -40.6 87.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.003 0.43 . . . . 0.0 109.962 177.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.9 93.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.978 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.478 ' HG3' HG22 ' A' ' 17' ' ' VAL . 41.1 ttp180 -62.12 -49.39 76.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.985 0.421 . . . . 0.0 110.55 178.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.6 m -61.57 -41.95 98.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.812 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.85 -35.07 74.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.97 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -62.86 -43.96 97.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.342 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.451 ' O ' ' HG3' ' A' ' 80' ' ' ARG . 91.6 t -62.48 -39.91 86.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.074 177.039 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.73 -37.55 87.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.97 178.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.0 -35.32 64.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.898 0.38 . . . . 0.0 110.878 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 t -66.68 -20.85 66.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.086 0.469 . . . . 0.0 110.274 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.889 ' HG2' HD11 ' A' ' 85' ' ' LEU . 86.5 mtt180 -62.67 -36.26 82.3 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.064 174.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -73.13 -27.13 61.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.118 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.68 -6.32 58.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.896 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 65.29 42.52 3.91 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.811 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.7 t -147.87 92.6 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.158 0.504 . . . . 0.0 109.862 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.889 HD11 ' HG2' ' A' ' 80' ' ' ARG . 90.5 mt -113.89 126.34 55.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.784 178.268 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 85.8 mmm . . . . . 0 C--N 1.32 -0.693 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.255 172.533 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.9 t70 . . . . . 0 C--O 1.233 0.233 0 CA-C-O 121.332 0.586 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.2 t -80.51 115.84 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 174.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.674 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 57.0 mttp -86.52 154.12 21.33 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.329 0.585 . . . . 0.0 112.083 -173.363 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.88 151.01 34.05 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.855 -175.328 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -89.42 -35.14 16.19 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 174.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.49 ' HE2' ' OE1' ' A' ' 69' ' ' GLU . 33.8 mttm -119.86 99.01 49.41 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.239 -0.891 . . . . 0.0 108.631 169.062 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.28 146.95 87.11 Favored 'Trans proline' 0 N--CA 1.474 0.34 0 C-N-CA 123.223 2.616 . . . . 0.0 113.233 -174.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.479 HG22 ' HG3' ' A' ' 72' ' ' ARG . 47.3 t -100.63 130.72 49.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.493 -178.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.408 ' HB ' ' SD ' ' A' ' 86' ' ' MET . 8.0 m -109.77 106.9 16.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.883 177.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.517 ' O ' ' HA ' ' A' ' 26' ' ' PRO . 8.1 tp -89.04 114.12 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -179.064 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.591 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 16.9 t -83.84 98.93 10.0 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.056 -177.059 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.1 mt -82.45 130.24 35.07 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 175.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -44.64 -55.23 5.4 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.842 0.714 . . . . 0.0 111.922 -174.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -116.16 1.18 13.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.559 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.8 -2.34 55.18 Favored Glycine 0 C--O 1.236 0.238 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.505 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.425 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . 74.72 150.64 0.13 Allowed Pre-proline 0 N--CA 1.468 0.436 0 C-N-CA 123.52 0.728 . . . . 0.0 112.098 176.313 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.591 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 27.4 Cg_exo -62.96 103.78 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.031 2.488 . . . . 0.0 111.477 173.031 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -99.85 137.96 37.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.605 -178.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.5 mt -96.1 123.31 48.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.929 -174.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -88.58 118.81 28.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.131 175.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -82.37 -38.86 23.56 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.527 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.674 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -125.82 155.11 18.96 Favored Glycine 0 N--CA 1.443 -0.881 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.542 -177.55 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.52 HG11 ' HB2' ' A' ' 61' ' ' SER . 45.1 t -66.44 -30.95 51.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.033 0.444 . . . . 0.0 109.901 178.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -67.84 -36.47 80.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.761 176.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -64.39 -37.64 88.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.447 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.489 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -69.38 -47.22 64.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.478 175.68 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -55.43 -42.47 74.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.538 177.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -59.8 -46.49 89.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.886 177.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -61.07 -40.62 94.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.995 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.0 mt -60.37 -37.96 82.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.578 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -85.41 -15.38 43.25 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -75.54 -64.33 1.09 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 174.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -174.84 92.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.172 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -73.98 136.26 76.62 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.679 171.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.439 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 23.9 Cg_endo -61.84 109.8 0.86 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.898 2.399 . . . . 0.0 112.887 177.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 44' ' ' PRO . . . 89.86 175.99 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.93 1.292 . . . . 0.0 111.251 177.142 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -134.34 -175.87 4.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.298 -174.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 164.82 -98.39 0.15 Allowed Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 175.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.468 ' CG ' ' H ' ' A' ' 49' ' ' ARG . 36.7 p-10 -172.44 -79.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.648 0.261 . . . . 0.0 111.151 177.173 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.468 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 3.9 mtt180 -76.87 -25.75 53.44 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.507 -170.148 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.4 -37.32 85.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.247 0.546 . . . . 0.0 110.106 175.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -79.14 -40.61 30.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.674 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.414 ' HB2' ' HA ' ' A' ' 49' ' ' ARG . 66.5 mm-40 -62.16 -53.5 54.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.973 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -64.87 -36.39 84.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.054 -177.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.13 -47.39 81.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.874 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.21 -42.55 88.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.81 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 66.2 mtt85 -61.98 -46.46 89.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.276 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.89 -39.3 90.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.924 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.584 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 75.0 m -63.97 -44.97 91.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.739 0.304 . . . . 0.0 110.365 176.479 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -58.45 -48.89 79.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.796 178.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.95 -36.82 77.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.113 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.52 ' HB2' HG11 ' A' ' 32' ' ' VAL . 22.6 m -66.55 -41.98 87.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.379 177.442 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 71.3 mt -71.4 -15.55 62.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.886 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 85.1 mtp -97.73 5.62 49.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.803 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.55 8.23 87.72 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.211 -0.519 . . . . 0.0 113.348 176.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -88.94 -21.02 23.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.944 0.402 . . . . 0.0 110.708 -177.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.1 t -124.76 136.73 59.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.519 175.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.68 -32.13 65.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.35 . . . . 0.0 111.483 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 137.27 -47.98 0.93 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.114 -1.041 . . . . 0.0 113.232 174.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.498 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 36.9 mt-10 -63.03 -29.75 71.06 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -175.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 72.1 mt -57.85 -45.38 87.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.129 0.49 . . . . 0.0 110.107 174.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.85 -30.48 65.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.524 178.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.498 ' HB3' ' HA ' ' A' ' 69' ' ' GLU . 11.9 ttt85 -60.79 -54.11 49.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 177.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.5 m -63.7 -35.0 79.11 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.109 0.481 . . . . 0.0 110.816 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.03 -30.97 65.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.194 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -62.32 -43.01 99.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.213 0.53 . . . . 0.0 109.63 178.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 82.9 t -63.39 -39.82 86.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.424 176.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.87 -39.76 94.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.937 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.85 -32.31 72.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.005 0.431 . . . . 0.0 110.733 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.0 m -69.23 -13.13 62.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.066 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -68.38 -34.47 76.09 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.187 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -65.58 -34.57 78.55 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.111 0.481 . . . . 0.0 110.371 178.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.52 -13.19 57.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.357 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 61.75 20.41 11.37 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.444 -177.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.2 t -103.43 60.79 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.314 0.578 . . . . 0.0 110.386 -173.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.0 mt -88.43 140.47 29.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.317 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.408 ' SD ' ' HB ' ' A' ' 18' ' ' THR . 56.7 ttp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.583 -178.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 CA--C 1.516 -0.359 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.0 t -82.5 111.43 18.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.587 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 87.2 tttt -67.24 136.27 54.7 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.127 -175.631 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.73 144.21 55.54 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.861 175.342 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -58.41 -44.16 88.94 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.474 ' HD2' ' HA ' ' A' ' 15' ' ' LYS . 7.7 tptm -131.56 108.75 14.57 Favored Pre-proline 0 N--CA 1.446 -0.639 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.723 171.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -49.51 151.7 6.94 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 124.232 3.288 . . . . 0.0 113.937 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.3 t -105.87 139.17 27.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.972 -176.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.8 m -101.1 117.83 35.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.667 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.1 mm -105.34 125.6 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.471 177.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.9 m -86.47 96.63 10.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.006 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.91 149.36 47.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.342 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -70.41 8.93 0.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.863 -178.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -109.06 9.66 26.26 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.42 50.03 8.67 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.0 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -140.94 114.58 7.09 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.708 0.29 . . . . 0.0 111.48 -177.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.88 94.36 1.06 Allowed 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 123.105 2.537 . . . . 0.0 111.627 175.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -90.11 116.63 28.27 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.018 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.4 mt -98.9 120.91 48.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.317 -177.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -95.91 120.7 36.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.253 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -80.08 -45.35 18.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.125 0.488 . . . . 0.0 109.861 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.587 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -111.7 160.4 13.23 Favored Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.915 -174.138 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.509 HG11 ' HB3' ' A' ' 61' ' ' SER . 61.8 t -67.44 -32.46 57.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.401 -0.4 . . . . 0.0 111.072 -178.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -73.13 -36.8 66.77 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.169 -177.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -57.25 -46.46 83.01 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.135 0.493 . . . . 0.0 110.127 177.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.531 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -67.18 -46.45 73.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.849 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.497 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 49.1 t80 -57.76 -43.14 85.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.96 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -66.61 -43.48 84.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.584 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.73 -43.4 94.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.317 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.3 mt -58.17 -29.33 65.52 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.461 -178.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -88.93 -34.36 16.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.286 -177.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -75.11 -73.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.127 -178.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -140.08 76.97 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.209 0.528 . . . . 0.0 112.036 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -86.74 123.09 71.23 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 168.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -34.75 -64.72 0.14 Allowed 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 124.352 3.368 . . . . 0.0 114.494 -174.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.29 110.03 8.1 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 74.2 mtt85 -51.17 -81.61 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.734 0.646 . . . . 0.0 112.074 -174.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.52 -98.25 0.56 Allowed Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 120.159 -1.02 . . . . 0.0 112.973 174.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -168.96 -143.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.348 -0.426 . . . . 0.0 109.954 -173.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -51.7 -33.35 33.92 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 122.981 0.512 . . . . 0.0 111.43 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.94 -35.9 77.95 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.829 0.347 . . . . 0.0 111.469 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -74.89 -38.29 61.91 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -66.21 -38.72 88.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.044 178.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.518 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 26.5 tt0 -56.39 -49.94 73.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.657 175.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.41 -38.2 76.89 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.002 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.83 -48.84 72.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.59 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 56' ' ' ARG . 52.7 mtm-85 -61.88 -41.83 98.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.315 -179.158 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 92.7 mt -56.52 -50.35 72.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.837 178.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.497 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 57.1 m -67.74 -41.73 82.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.629 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -61.48 -46.53 89.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.977 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.429 ' HB1' ' HB3' ' A' ' 65' ' ' ASP . . . -76.93 -23.75 52.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.41 -178.499 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.509 ' HB3' HG11 ' A' ' 32' ' ' VAL . 14.5 t -67.74 -38.09 83.03 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.272 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.9 mt -68.5 -27.04 65.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.228 0.537 . . . . 0.0 110.452 177.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 51.4 ttm -79.62 -9.36 59.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.398 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.65 10.16 73.63 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.21 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.429 ' HB3' ' HB1' ' A' ' 60' ' ' ALA . 36.5 t70 -85.16 -48.91 8.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.055 0.455 . . . . 0.0 110.212 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.43 HG12 ' H ' ' A' ' 68' ' ' GLY . 63.1 t -88.66 127.72 41.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.668 175.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.07 20.44 0.14 Allowed 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -175.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.43 ' H ' HG12 ' A' ' 66' ' ' VAL . . . 77.02 -55.23 3.52 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 121.175 -0.536 . . . . 0.0 113.582 175.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -56.23 -47.9 77.55 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.555 0.342 . . . . 0.0 111.372 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 62.3 mt -59.88 -38.4 76.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.854 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.409 ' HB2' HG11 ' A' ' 66' ' ' VAL . . . -65.21 -37.5 87.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.837 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.9 ttm105 -61.79 -50.3 72.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.816 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.9 m -59.95 -48.64 80.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.309 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.46 -25.07 61.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.36 -177.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -64.87 -49.75 69.31 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 175.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.457 ' O ' ' HG3' ' A' ' 80' ' ' ARG . 93.8 t -61.41 -43.59 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.155 177.293 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.41 -39.2 75.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.405 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.0 -39.61 63.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.108 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.6 p -69.0 -12.53 61.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.805 -178.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.586 ' HG2' HD11 ' A' ' 85' ' ' LEU . 82.7 mtt-85 -65.3 -33.04 75.04 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.778 0.323 . . . . 0.0 110.2 177.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -62.57 -40.35 96.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.766 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.27 -8.06 58.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 61.25 25.91 15.83 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.98 -177.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.8 t -89.13 26.0 1.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.78 0.8 . . . . 0.0 109.571 -178.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.586 HD11 ' HG2' ' A' ' 80' ' ' ARG . 88.4 mt -76.2 154.17 35.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.997 -174.287 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 7.2 tmm? . . . . . 0 C--N 1.32 -0.701 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 166.506 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.4 t70 . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 121.146 0.498 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.401 ' O ' HG23 ' A' ' 32' ' ' VAL . 62.0 t -89.96 134.75 28.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -177.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.555 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 13.4 mptt -86.89 150.41 24.12 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.877 -178.036 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.06 158.51 21.41 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.575 178.574 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -80.91 -59.67 2.58 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 175.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.2 mmtm -93.71 129.2 39.0 Favored Pre-proline 0 N--CA 1.45 -0.461 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.728 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.16 143.3 99.54 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 123.198 2.598 . . . . 0.0 112.804 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.466 HG22 ' HG3' ' A' ' 72' ' ' ARG . 61.8 t -109.32 109.61 29.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.238 179.542 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.407 HG23 HG12 ' A' ' 28' ' ' ILE . 11.9 m -98.86 112.4 24.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.181 -177.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.1 mm -99.76 115.34 40.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.272 177.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.436 ' HB3' ' HG2' ' A' ' 86' ' ' MET . 5.4 p -89.37 94.76 10.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.135 0.493 . . . . 0.0 110.397 177.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.413 HD21 ' HZ ' ' A' ' 38' ' ' PHE . 94.0 mt -75.88 162.67 27.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.801 -178.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -75.57 8.44 2.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.092 -172.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -92.24 -5.34 52.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.656 173.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.61 46.59 7.23 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -174.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.97 112.28 10.42 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.681 0.277 . . . . 0.0 110.851 -177.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -82.11 94.08 0.91 Allowed 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.721 2.28 . . . . 0.0 111.526 174.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -89.04 114.9 26.16 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.142 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.407 HG12 HG23 ' A' ' 18' ' ' THR . 39.3 mt -96.54 116.69 39.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.273 -178.077 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -87.25 149.9 24.26 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.686 -178.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -115.59 -33.99 5.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.455 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.555 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -110.71 158.19 14.54 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.152 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.536 HG11 ' HB3' ' A' ' 61' ' ' SER . 44.9 t -79.35 -36.43 17.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.611 0.244 . . . . 0.0 111.074 -179.149 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -73.97 -37.37 64.51 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.827 -176.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.408 ' CD ' ' H ' ' A' ' 31' ' ' GLY . 8.4 pt-20 -63.85 -28.38 69.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.873 0.368 . . . . 0.0 110.396 176.495 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.532 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -75.84 -43.62 44.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.198 174.431 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.452 ' HA ' HD12 ' A' ' 39' ' ' LEU . 90.3 t80 -55.62 -46.17 77.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.762 175.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.53 -42.75 99.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.551 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.413 ' HZ ' HD21 ' A' ' 21' ' ' LEU . 70.3 t80 -57.9 -46.33 85.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.791 176.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 84.2 mt -57.35 -41.82 80.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.631 -178.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -67.6 -44.06 79.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.236 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -75.66 -44.45 42.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.887 -173.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -158.8 77.89 0.76 Allowed 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.004 -0.678 . . . . 0.0 112.335 -175.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.507 ' HB2' ' HA ' ' A' ' 39' ' ' LEU . 65.6 t-105 -108.73 119.94 47.65 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 168.088 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -45.63 -34.91 12.07 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.861 3.041 . . . . 0.0 113.982 -175.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.31 101.21 9.63 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 175.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 46' ' ' ARG . 52.3 mtt85 -99.3 83.02 2.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.597 -173.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.92 -23.41 6.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 119.674 -1.25 . . . . 0.0 114.406 170.027 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -69.24 163.49 24.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.97 0.414 . . . . 0.0 111.2 -173.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.489 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 0.9 OUTLIER -52.39 -36.28 53.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.879 175.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.03 -37.19 71.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.033 0.444 . . . . 0.0 110.547 177.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -71.52 -46.79 58.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.707 177.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -59.36 -47.08 86.76 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.809 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' ' 49' ' ' ARG . 89.9 mt-30 -60.37 -48.0 83.65 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.711 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.26 -50.03 62.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.387 -177.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.3 -49.08 73.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.531 -179.079 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -68.55 -37.65 80.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.184 -173.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.0 mt -69.71 -38.12 76.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.868 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.61 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 89.4 m -63.05 -41.73 99.55 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 175.382 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.443 ' O ' ' HG3' ' A' ' 63' ' ' MET . 39.8 ttm180 -62.38 -44.36 96.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.744 176.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.43 -28.05 69.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.065 0.459 . . . . 0.0 110.743 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.536 ' HB3' HG11 ' A' ' 32' ' ' VAL . 14.0 t -72.58 -42.01 65.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.826 175.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 60.1 mt -62.18 -38.58 89.6 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.493 177.301 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.443 ' HG3' ' O ' ' A' ' 59' ' ' ARG . 93.2 mtp -69.66 -19.53 63.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.898 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.25 23.16 10.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.972 -0.633 . . . . 0.0 113.286 175.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -104.37 -40.02 6.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.427 -0.455 . . . . 0.0 111.128 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.4 t -94.35 115.31 32.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 176.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.51 91.55 4.96 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -174.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.18 -87.83 0.03 OUTLIER Glycine 0 CA--C 1.522 0.49 0 N-CA-C 115.043 0.777 . . . . 0.0 115.043 168.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -52.27 -43.91 64.67 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.553 0.741 . . . . 0.0 112.352 -171.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.447 HD12 ' H ' ' A' ' 70' ' ' ILE . 3.1 mp -61.12 -45.26 98.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.973 0.416 . . . . 0.0 110.513 -178.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.57 -38.83 84.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.94 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.47 ' O ' HG23 ' A' ' 76' ' ' VAL . 37.9 ttp180 -61.96 -47.81 83.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.624 -178.649 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 m -65.49 -41.16 93.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.255 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.68 -35.03 78.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.778 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.473 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 5.3 t80 -63.39 -47.55 81.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.712 177.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 72' ' ' ARG . 86.5 t -60.35 -38.03 76.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.983 178.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.01 -34.96 75.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.9 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.55 -42.87 58.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.283 176.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.4 m -60.9 -28.35 68.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.405 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.534 ' HG2' HD11 ' A' ' 85' ' ' LEU . 57.8 mtp180 -59.23 -43.28 92.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.9 0.381 . . . . 0.0 111.333 177.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -73.96 -17.7 60.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.803 -176.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.6 -10.45 25.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.429 175.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 65.33 30.14 11.23 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.233 -178.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 66.0 m -103.86 66.35 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.407 0.622 . . . . 0.0 109.862 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.534 HD11 ' HG2' ' A' ' 80' ' ' ARG . 88.8 mt -108.31 140.69 41.22 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.549 -175.319 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.436 ' HG2' ' HB3' ' A' ' 20' ' ' SER . 8.9 mmm . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.846 176.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.3 t -106.57 139.57 27.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.13 -178.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.533 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 58.1 mttp -95.25 153.71 17.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.072 0.463 . . . . 0.0 111.176 179.469 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.43 141.05 29.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.611 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -70.71 -40.91 72.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.243 0.544 . . . . 0.0 110.008 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.557 ' HB2' ' HD2' ' A' ' 72' ' ' ARG . 74.5 mmtt -109.7 122.77 38.25 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.122 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 15' ' ' LYS . 15.9 Cg_exo -67.81 142.81 58.91 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.794 2.329 . . . . 0.0 112.631 -179.343 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.7 t -118.15 122.76 70.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.478 175.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.654 ' HB ' ' HG2' ' A' ' 86' ' ' MET . 23.6 m -108.01 96.21 6.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.22 0.533 . . . . 0.0 110.774 -176.351 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.425 ' CG1' ' HE2' ' A' ' 29' ' ' PHE . 16.0 mm -88.75 104.52 14.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -176.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.706 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 0.5 OUTLIER -86.73 99.82 12.05 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.847 177.634 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.6 mt -76.42 168.15 20.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.586 -174.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -66.1 -11.15 46.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.642 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -70.21 -14.07 62.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.394 175.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.51 31.17 11.86 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.112 -0.566 . . . . 0.0 112.499 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.456 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -144.47 119.61 5.99 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.667 0.27 . . . . 0.0 111.472 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.706 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 6.8 Cg_exo -75.65 110.16 3.04 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 123.288 2.658 . . . . 0.0 112.089 173.077 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -95.05 114.86 26.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.215 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.7 mt -85.17 119.9 34.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.401 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.425 ' HE2' ' CG1' ' A' ' 19' ' ' ILE . 66.0 m-85 -100.12 109.47 21.75 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.891 176.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -100.55 -10.7 20.76 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 175.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.533 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -115.18 133.7 11.14 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 175.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.513 HG11 ' HB2' ' A' ' 61' ' ' SER . 37.7 t -69.21 -35.74 69.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.966 0.412 . . . . 0.0 110.605 -177.008 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -66.09 -36.85 84.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.386 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.417 ' OE2' ' HA3' ' A' ' 31' ' ' GLY . 14.0 mt-10 -62.58 -40.98 98.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.839 177.158 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.482 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -72.3 -34.93 68.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 178.247 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -57.09 -51.59 68.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.56 177.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.97 -40.66 96.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.837 177.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -57.84 -46.06 85.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.046 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 97.6 mt -63.1 -36.28 83.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.53 -179.313 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -78.71 -36.69 43.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.798 -178.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -62.37 -67.25 0.43 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.69 -176.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -164.64 89.57 0.51 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.288 0.566 . . . . 0.0 111.934 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 65.8 t-105 -85.74 136.51 36.75 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 164.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.4 14.54 0.14 Allowed 'Trans proline' 0 N--CA 1.479 0.624 0 C-N-CA 123.091 2.527 . . . . 0.0 114.18 -176.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.4 70.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.277 0.56 . . . . 0.0 109.501 177.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 46' ' ' ARG . 14.7 ptt-85 -104.2 138.52 40.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.502 -177.055 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.81 -18.18 7.15 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 -176.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -87.14 145.71 26.32 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.301 -0.449 . . . . 0.0 110.51 -177.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -71.71 -17.18 62.23 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -173.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.52 -40.42 23.2 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -59.91 -37.03 78.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.88 171.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -77.11 -31.6 55.95 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.522 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -54.54 -47.19 73.47 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 174.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.46 -44.35 87.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.588 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.5 tp -59.95 -45.53 92.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.241 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -61.51 -40.62 95.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.643 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.465 HD12 ' HB3' ' A' ' 74' ' ' ALA . 80.5 mt -69.47 -35.68 75.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.012 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.653 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 71.9 m -60.02 -43.29 95.38 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 176.528 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.7 ttt180 -62.73 -45.56 92.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.0 176.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.89 -27.41 67.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.498 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.513 ' HB2' HG11 ' A' ' 32' ' ' VAL . 49.6 m -69.36 -36.99 77.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.915 0.388 . . . . 0.0 109.98 176.06 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 41.1 mt -68.52 -20.38 64.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.535 0.683 . . . . 0.0 109.832 177.301 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 76.4 mtp -88.65 -1.93 58.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.438 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.75 19.31 77.97 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.384 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -95.13 -33.19 12.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.13 0.49 . . . . 0.0 110.765 -176.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.524 HG13 ' HB ' ' A' ' 70' ' ' ILE . 93.2 t -111.04 110.59 32.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.091 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.47 89.7 7.77 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -175.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.48 -93.96 0.07 OUTLIER Glycine 0 CA--C 1.523 0.539 0 N-CA-C 115.539 0.976 . . . . 0.0 115.539 166.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.486 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 38.4 tt0 -58.37 -29.14 65.78 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -169.096 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.524 ' HB ' HG13 ' A' ' 66' ' ' VAL . 59.7 mt -60.63 -51.17 76.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.292 0.567 . . . . 0.0 109.964 177.356 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.02 85.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.09 176.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.557 ' HD2' ' HB2' ' A' ' 15' ' ' LYS . 16.7 ttt180 -55.49 -51.21 67.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.7 176.329 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 m -54.43 -46.76 73.3 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.973 -177.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.465 ' HB3' HD12 ' A' ' 57' ' ' LEU . . . -76.41 -30.92 57.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.621 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -64.5 -42.42 95.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.107 0.48 . . . . 0.0 109.783 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 72' ' ' ARG . 95.9 t -64.15 -39.17 84.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.056 176.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.52 -43.29 89.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.955 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.18 -38.85 82.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.99 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.5 m -69.24 -20.19 63.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.064 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -58.74 -36.54 74.49 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.038 0.447 . . . . 0.0 110.558 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -71.53 -16.43 62.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.105 -177.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.68 -4.89 58.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.237 176.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 59.8 m80 60.99 26.94 16.86 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.441 177.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.5 t -140.38 87.32 2.13 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.8 mt -97.44 122.71 40.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.632 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.654 ' HG2' ' HB ' ' A' ' 18' ' ' THR . 49.1 ttm . . . . . 0 C--N 1.317 -0.836 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.673 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 121.285 0.564 . . . . 0.0 110.147 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.3 t -103.99 116.33 47.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.38 -177.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -67.98 128.44 36.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.912 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.563 ' HB3' ' HB3' ' A' ' 16' ' ' PRO . 1.0 OUTLIER -89.8 104.07 16.67 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.151 -176.508 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -65.29 -51.53 60.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.27 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.445 ' HD2' ' HG2' ' A' ' 69' ' ' GLU . 95.6 mttt -112.88 84.37 6.73 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 174.504 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.563 ' HB3' ' HB3' ' A' ' 13' ' ' TRP . 98.1 Cg_endo -83.38 -173.45 1.65 Allowed 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.97 2.447 . . . . 0.0 113.194 -170.29 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.543 HG22 ' HG3' ' A' ' 72' ' ' ARG . 88.8 t -113.73 120.38 63.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.543 178.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.2 m -88.54 94.75 9.98 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 170.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.3 tt -88.8 111.43 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-O 121.56 0.695 . . . . 0.0 110.14 -170.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.473 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 19.2 m -83.6 99.83 10.43 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.788 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.9 mp -61.72 155.91 21.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.213 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.57 -15.19 25.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.194 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -81.55 4.45 21.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.021 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.54 37.2 36.04 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.217 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -133.46 109.51 12.35 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 120.683 0.278 . . . . 0.0 111.17 -177.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.473 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 5.8 Cg_exo -80.44 112.62 2.76 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 123.189 2.593 . . . . 0.0 112.064 176.138 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -97.62 120.75 38.56 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.367 176.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.5 mt -88.83 118.89 35.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.282 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -77.69 129.03 35.02 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.483 177.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -86.33 -27.24 24.43 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.404 0.621 . . . . 0.0 109.999 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.38 163.99 28.41 Favored Glycine 0 N--CA 1.441 -0.985 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.57 HG11 ' HB3' ' A' ' 61' ' ' SER . 26.1 t -68.0 -30.22 47.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 -177.183 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -66.71 -37.67 85.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 110.254 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -61.17 -36.82 80.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.242 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.592 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -67.3 -49.81 62.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.62 176.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.442 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 90.4 t80 -55.99 -45.54 78.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.916 178.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -65.3 -44.18 88.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.032 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -59.47 -37.12 77.4 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.818 0.342 . . . . 0.0 111.131 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 94.5 mt -64.36 -30.13 71.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.16 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -84.0 -21.62 31.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.628 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -78.8 -73.78 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -146.56 75.79 1.41 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.02 0.438 . . . . 0.0 111.587 -176.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.481 ' CE3' ' HD2' ' A' ' 44' ' ' PRO . 64.0 t-105 -86.46 126.1 65.44 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 170.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.481 ' HD2' ' CE3' ' A' ' 43' ' ' TRP . 55.7 Cg_exo -35.65 -60.61 0.32 Allowed 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 124.256 3.304 . . . . 0.0 114.461 -175.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -115.83 93.98 4.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.926 0.393 . . . . 0.0 111.172 -178.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 43' ' ' TRP . 90.8 mtm180 -97.65 143.56 28.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.076 -179.257 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.07 -32.49 3.96 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.832 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -90.35 -171.83 3.23 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.502 0.668 . . . . 0.0 111.376 -174.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.8 mtt85 -69.33 -33.21 72.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.73 -176.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.3 -54.38 47.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.019 -178.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.438 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 34.6 t-80 -59.42 -41.76 90.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.776 177.461 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -63.21 -53.8 47.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.712 -177.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.525 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 86.0 mt-30 -68.8 -31.74 70.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.041 -176.428 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.414 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -60.37 -38.44 83.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 110.257 175.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 51' ' ' HIS . 94.7 mt -64.17 -48.41 76.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.176 175.754 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -57.04 -45.61 83.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.214 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 58.3 mt -57.05 -49.79 74.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.571 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 41.3 m -69.12 -41.69 77.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.784 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.1 ttt-85 -59.73 -47.76 84.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.801 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.449 ' HB1' ' HB3' ' A' ' 65' ' ' ASP . . . -65.0 -36.57 84.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.731 178.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.57 ' HB3' HG11 ' A' ' 32' ' ' VAL . 12.6 t -64.6 -32.84 74.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.345 179.188 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 92.6 mt -73.69 -14.95 61.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.178 0.513 . . . . 0.0 110.945 178.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.5 mmm -94.75 -4.48 47.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.81 175.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.52 12.52 64.67 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.391 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.449 ' HB3' ' HB1' ' A' ' 60' ' ' ALA . 28.6 t70 -79.77 -34.67 39.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.04 0.448 . . . . 0.0 110.596 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.494 HG13 ' HB ' ' A' ' 70' ' ' ILE . 63.0 t -107.14 132.18 55.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.291 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.68 27.89 0.35 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.422 ' H ' HG12 ' A' ' 66' ' ' VAL . . . 78.19 -57.16 4.03 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.797 175.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.445 ' HG2' ' HD2' ' A' ' 15' ' ' LYS . 44.4 mt-10 -58.29 -44.41 88.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.753 0.311 . . . . 0.0 111.57 -176.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.494 ' HB ' HG13 ' A' ' 66' ' ' VAL . 71.8 mt -60.62 -35.89 66.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.745 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.79 95.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.647 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.543 ' HG3' HG22 ' A' ' 17' ' ' VAL . 25.5 ttt180 -60.94 -52.88 63.15 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.693 0.282 . . . . 0.0 110.847 178.496 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.9 m -59.41 -50.05 75.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.351 -176.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.15 -26.92 65.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.361 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.452 ' CE1' HD21 ' A' ' 39' ' ' LEU . 69.4 t80 -68.82 -44.04 74.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.217 178.328 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 72' ' ' ARG . 73.1 t -61.39 -38.89 81.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.274 178.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.11 94.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.832 177.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.48 -35.74 68.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.778 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.6 m -62.23 -25.26 67.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.028 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.721 ' HG3' HD11 ' A' ' 85' ' ' LEU . 77.3 ttt180 -62.72 -37.39 86.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -71.12 -13.08 61.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.675 -176.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -107.81 2.47 23.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.514 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.2 m80 61.09 21.13 11.56 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.478 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 9.7 t -98.77 62.12 1.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.721 HD11 ' HG3' ' A' ' 80' ' ' ARG . 73.4 mt -103.93 131.5 51.1 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -172.242 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 52.6 ttp . . . . . 0 C--N 1.323 -0.558 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 164.658 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 121.907 0.86 . . . . 0.0 109.954 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.0 t -89.9 112.5 24.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.844 -177.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.557 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 95.0 mttt -100.81 159.25 15.35 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 120.935 0.398 . . . . 0.0 111.415 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.86 -174.72 4.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.194 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -58.39 -65.28 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.291 175.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.554 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . 83.8 tttt 174.13 -56.86 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.133 -177.493 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.554 ' HD3' ' HB3' ' A' ' 15' ' ' LYS . 96.3 Cg_endo -80.27 78.98 3.47 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.828 1.686 . . . . 0.0 113.383 -175.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.505 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 24.2 t -116.56 87.04 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 173.192 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.569 HG23 HG12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -103.54 111.0 23.26 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.517 -174.635 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.626 ' O ' ' HA ' ' A' ' 26' ' ' PRO . 10.7 tt -102.17 137.84 28.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.743 178.53 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.532 ' HB3' ' O ' ' A' ' 84' ' ' CYS . 12.5 t -118.31 138.68 52.22 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.971 0.415 . . . . 0.0 109.91 -178.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.434 HD23 ' HG3' ' A' ' 44' ' ' PRO . 10.3 mp -118.05 171.71 7.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.574 -178.15 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -66.85 -14.87 63.18 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.166 0.507 . . . . 0.0 110.654 178.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -78.55 -2.1 37.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.65 177.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.71 49.01 52.57 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.376 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.06 100.36 7.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 120.685 0.279 . . . . 0.0 111.425 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.626 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 6.2 Cg_exo -79.93 116.77 3.47 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 123.368 2.712 . . . . 0.0 111.461 174.227 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' A' ' 18' ' ' THR . 63.0 mtt85 -113.5 143.58 44.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.277 -179.462 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.569 HG12 HG23 ' A' ' 18' ' ' THR . 63.5 mt -97.87 116.29 40.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.525 177.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -84.93 133.02 34.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.354 -0.384 . . . . 0.0 109.966 175.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -85.03 -34.53 22.29 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.557 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -142.24 178.97 20.47 Favored Glycine 0 N--CA 1.438 -1.168 0 CA-C-N 115.454 -0.794 . . . . 0.0 112.53 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.545 HG11 ' HB2' ' A' ' 61' ' ' SER . 17.6 t -78.29 -24.54 13.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.669 0.271 . . . . 0.0 111.267 -174.721 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -67.87 -43.51 79.23 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.422 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -59.43 -38.18 80.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.249 177.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.506 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -63.5 -50.8 68.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.711 177.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.544 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 72.2 t80 -63.02 -44.35 96.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.971 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -61.32 -41.68 97.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.225 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -61.63 -47.16 86.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.699 178.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.544 ' HA ' ' HB2' ' A' ' 43' ' ' TRP . 95.0 mt -60.48 -47.5 85.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -67.69 -38.44 83.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.816 -178.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -67.97 -61.24 1.96 Allowed 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.071 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -157.38 85.86 0.93 Allowed 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.354 0.597 . . . . 0.0 111.684 -177.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.625 ' CZ3' HD11 ' A' ' 19' ' ' ILE . 61.3 t-105 -101.04 110.81 62.21 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 168.018 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.434 ' HG3' HD23 ' A' ' 21' ' ' LEU . 73.2 Cg_endo -74.13 32.37 0.34 Allowed 'Trans proline' 0 N--CA 1.473 0.296 0 C-N-CA 123.372 2.714 . . . . 0.0 113.732 -172.277 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -145.51 132.78 20.54 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 mtm-85 -136.53 157.56 46.49 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.84 -98.41 0.11 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.194 -178.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.537 ' OD2' ' HG3' ' A' ' 49' ' ' ARG . 37.6 t70 -149.15 -103.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.725 0.263 . . . . 0.0 111.421 -177.695 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.537 ' HG3' ' OD2' ' A' ' 48' ' ' ASP . 83.6 mtt180 -78.27 -31.33 49.0 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -171.602 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.7 -31.19 71.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.094 0.473 . . . . 0.0 110.55 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -78.45 -42.18 30.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.672 178.042 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.434 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 98.4 mt-10 -61.31 -48.65 80.39 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.905 178.523 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -57.41 -43.86 84.11 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.296 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.68 -44.61 77.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.918 0.389 . . . . 0.0 110.809 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.1 mt -66.8 -41.12 88.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.874 179.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 95.5 mtt180 -66.11 -46.86 76.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.201 -178.461 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.8 mt -58.64 -40.86 84.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.544 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 74.0 m -65.5 -47.9 74.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.413 -179.387 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.2 mtm180 -70.67 -32.27 69.48 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.138 -177.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.33 95.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.108 0.48 . . . . 0.0 110.447 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.545 ' HB2' HG11 ' A' ' 32' ' ' VAL . 26.2 m -62.66 -35.22 78.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.92 179.212 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.7 mt -68.18 -17.29 64.29 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.59 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 71.5 mtm -97.74 -8.24 29.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.966 0.412 . . . . 0.0 110.614 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.37 7.29 58.25 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.6 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.04 -30.08 70.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.928 0.394 . . . . 0.0 111.132 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.454 HG13 ' HB ' ' A' ' 70' ' ' ILE . 44.2 t -121.5 134.35 65.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.169 -178.271 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.35 21.66 0.75 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.087 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.43 ' H ' HG12 ' A' ' 66' ' ' VAL . . . 88.93 -45.13 3.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.003 178.296 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -55.14 -62.41 1.68 Allowed 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -177.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.454 ' HB ' HG13 ' A' ' 66' ' ' VAL . 67.4 mt -56.48 -36.43 47.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.178 0.513 . . . . 0.0 110.949 -178.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.86 -36.42 78.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.085 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.452 ' O ' HG23 ' A' ' 76' ' ' VAL . 46.3 ttt180 -66.62 -47.67 71.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.647 0.26 . . . . 0.0 110.912 -176.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 p -70.32 -42.39 72.01 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 120.867 0.365 . . . . 0.0 111.192 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.53 -35.05 79.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.307 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.412 ' HE1' HD12 ' A' ' 19' ' ' ILE . 44.4 t80 -63.09 -45.14 93.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.168 178.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 72' ' ' ARG . 91.6 t -59.56 -39.64 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.481 178.097 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.6 -43.55 93.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.307 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.34 -32.05 70.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.056 0.455 . . . . 0.0 111.163 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.7 m -74.5 -2.6 26.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.814 -177.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -65.68 -12.62 55.13 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.76 0.314 . . . . 0.0 110.64 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -56.6 -36.14 69.07 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.723 175.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.01 -16.23 62.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.271 -178.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 20.1 m80 59.28 36.22 23.55 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.002 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.532 ' O ' ' HB3' ' A' ' 20' ' ' SER . 22.2 t -160.99 99.15 1.21 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.501 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 77.1 mt -122.19 178.41 4.94 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.525 177.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 47.3 mtp . . . . . 0 C--N 1.327 -0.394 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.167 172.213 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 121.19 0.519 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.43 HG21 ' O ' ' A' ' 61' ' ' SER . 61.1 t -98.12 110.53 25.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.409 -178.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -82.23 145.3 30.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.106 177.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.26 144.61 31.43 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.731 0.3 . . . . 0.0 110.592 178.464 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -61.18 -50.04 74.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.823 0.82 . . . . 0.0 108.997 175.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -127.39 103.79 22.4 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 114.317 -1.31 . . . . 0.0 109.146 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -51.24 147.82 20.1 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.779 2.986 . . . . 0.0 113.034 -176.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.2 t -107.31 125.83 63.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.484 -173.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.5 m -88.2 114.91 25.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.158 177.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.516 ' HB ' ' CE2' ' A' ' 29' ' ' PHE . 13.8 mm -119.78 137.03 54.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.429 178.699 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.41 ' HB2' ' SD ' ' A' ' 86' ' ' MET . 20.9 t -96.67 116.54 29.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.791 0.329 . . . . 0.0 110.205 179.242 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.634 ' HG ' ' CE1' ' A' ' 38' ' ' PHE . 7.2 mp -70.86 165.71 22.65 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.031 177.17 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -59.95 -23.27 63.44 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -72.9 -14.71 61.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.717 0.294 . . . . 0.0 111.033 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.88 58.2 1.73 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.573 -176.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.439 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -144.94 114.56 5.02 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.778 -0.211 . . . . 0.0 110.473 -178.422 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 5.5 Cg_exo -78.21 101.27 1.45 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 123.125 2.55 . . . . 0.0 112.053 178.431 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -95.9 130.69 42.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.482 176.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.7 mt -93.4 113.22 27.82 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.693 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.516 ' CE2' ' HB ' ' A' ' 19' ' ' ILE . 44.2 m-85 -83.16 118.08 23.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.252 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -83.52 -26.2 30.37 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.789 -177.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -138.24 159.55 25.22 Favored Glycine 0 N--CA 1.442 -0.945 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.687 -178.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.558 HG11 ' HB2' ' A' ' 61' ' ' SER . 48.4 t -62.11 -31.68 52.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.939 0.4 . . . . 0.0 111.056 -177.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -61.33 -41.07 96.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.247 -178.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.33 -41.51 97.15 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.264 0.554 . . . . 0.0 110.206 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.618 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -72.18 -45.27 61.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.092 -179.147 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -60.74 -42.77 98.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.664 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -60.95 -50.84 71.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.896 175.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.634 ' CE1' ' HG ' ' A' ' 21' ' ' LEU . 34.5 t80 -52.48 -43.03 64.75 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.229 178.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.2 mt -56.5 -45.64 80.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.685 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -77.04 -17.75 58.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.625 -176.238 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 54.5 m80 -84.51 -63.1 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.645 177.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -157.02 79.06 0.91 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.015 0.436 . . . . 0.0 111.337 -176.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.57 ' NE1' ' HB3' ' A' ' 45' ' ' ALA . 49.9 t-105 -89.27 113.82 57.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.981 174.332 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.52 ' HD2' ' CE3' ' A' ' 43' ' ' TRP . 83.0 Cg_exo -49.17 -37.72 39.46 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.802 3.001 . . . . 0.0 114.458 -177.174 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.57 ' HB3' ' NE1' ' A' ' 43' ' ' TRP . . . -82.66 85.72 6.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.466 0.65 . . . . 0.0 110.687 -178.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 46' ' ' ARG . 8.7 ptt180 -101.51 148.49 25.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.872 -177.237 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.24 -98.04 0.16 Allowed Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -152.35 -80.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.809 0.304 . . . . 0.0 111.167 174.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 39.5 ttt85 -68.13 -35.01 77.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.826 -171.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.68 -40.49 76.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.25 0.547 . . . . 0.0 110.236 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -70.85 -45.43 64.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.517 178.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -53.0 -56.83 13.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.405 178.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.488 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 53.3 tt0 -52.14 -47.36 65.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.409 -176.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.61 -47.86 75.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.567 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 39' ' ' LEU . 9.8 mp -72.4 -37.85 68.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.316 -178.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.2 mmt85 -62.0 -40.04 94.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.86 0.362 . . . . 0.0 110.968 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 84.5 mt -64.97 -48.42 74.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.679 178.391 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 73.2 m -65.83 -34.66 78.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.252 -178.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -62.11 -41.38 98.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.91 0.385 . . . . 0.0 110.647 177.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.44 -35.2 60.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.817 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.558 ' HB2' HG11 ' A' ' 32' ' ' VAL . 47.2 m -64.64 -31.97 73.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.459 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 48.1 mt -70.63 -8.69 53.62 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.806 0.336 . . . . 0.0 111.79 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.2 mmm -107.29 -5.27 17.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.062 0.458 . . . . 0.0 110.523 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.78 19.38 58.07 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.615 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -75.63 -38.29 59.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.097 0.475 . . . . 0.0 110.662 178.149 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.2 t -107.33 121.08 59.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.096 -177.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.13 89.67 4.24 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -175.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.55 -100.64 0.04 OUTLIER Glycine 0 CA--C 1.521 0.409 0 N-CA-C 115.22 0.848 . . . . 0.0 115.22 166.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.566 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 42.8 tt0 -58.18 -26.96 63.41 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -173.25 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 61.8 mt -60.95 -45.99 97.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.889 0.376 . . . . 0.0 110.309 178.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.67 -37.0 79.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.996 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.566 ' HB3' ' HA ' ' A' ' 69' ' ' GLU . 21.6 ttt85 -59.3 -49.19 78.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.064 178.385 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.3 m -66.16 -41.68 90.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.895 0.379 . . . . 0.0 111.069 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.27 -33.06 74.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.024 0.44 . . . . 0.0 110.785 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.442 ' CE1' HD21 ' A' ' 39' ' ' LEU . 39.9 t80 -66.54 -35.81 81.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.806 177.13 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.554 HG13 HD22 ' A' ' 85' ' ' LEU . 79.3 t -61.07 -39.53 82.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.293 175.011 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.4 87.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.111 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.08 -38.35 66.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.117 0.484 . . . . 0.0 110.594 177.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.3 m -67.81 -16.8 64.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.208 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -61.79 -37.11 83.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.077 -178.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -60.86 -43.27 98.61 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.038 0.447 . . . . 0.0 111.094 -178.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.01 -1.17 57.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.904 -178.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 58.39 34.38 23.95 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.48 -177.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.446 ' SG ' HG23 ' A' ' 19' ' ' ILE . 47.2 t -88.45 32.26 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.695 0.759 . . . . 0.0 109.928 -179.497 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.554 HD22 HG13 ' A' ' 76' ' ' VAL . 90.2 mt -87.29 122.59 31.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.162 -176.185 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.41 ' SD ' ' HB2' ' A' ' 20' ' ' SER . 82.2 mtp . . . . . 0 C--N 1.314 -0.97 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.303 176.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.5 t0 . . . . . 0 CA--C 1.518 -0.259 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.554 HG12 HD23 ' A' ' 62' ' ' LEU . 5.4 p -96.89 126.53 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.542 -171.598 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.546 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 91.9 mttt -112.4 159.29 18.86 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.379 -178.726 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.48 135.29 33.55 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.451 0.643 . . . . 0.0 112.429 -174.322 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -71.86 -29.8 64.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.7 -1.137 . . . . 0.0 108.926 175.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.533 ' HB2' ' HD2' ' A' ' 72' ' ' ARG . 88.8 mttt -129.12 102.94 18.58 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 114.492 -1.231 . . . . 0.0 108.848 173.673 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.67 145.55 59.1 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.951 2.434 . . . . 0.0 112.784 -177.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.478 HG22 ' HG3' ' A' ' 72' ' ' ARG . 55.4 t -102.94 125.55 57.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.893 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.761 ' HB ' ' SD ' ' A' ' 86' ' ' MET . 7.3 m -112.18 109.82 19.74 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.046 0.451 . . . . 0.0 110.088 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.5 ' CG1' ' HE2' ' A' ' 29' ' ' PHE . 27.5 mm -106.64 123.32 61.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.409 -177.668 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 15.3 m -85.69 115.8 23.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.979 0.418 . . . . 0.0 110.323 177.659 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.479 HD21 ' CE1' ' A' ' 38' ' ' PHE . 20.6 mt -71.32 -178.69 2.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.848 179.175 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 47.5 tp60 -64.74 -31.45 72.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.406 -176.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -78.43 5.9 9.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.987 177.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.94 33.97 65.52 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.7 -178.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.57 105.02 56.66 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 120.677 0.275 . . . . 0.0 110.513 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 2.7 Cg_exo -76.53 112.33 3.44 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 123.094 2.529 . . . . 0.0 111.97 178.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.446 HH11 ' HD1' ' A' ' 38' ' ' PHE . 79.2 mtp180 -93.68 125.94 38.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.304 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.1 mt -88.64 107.9 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.973 0.416 . . . . 0.0 110.45 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.5 ' HE2' ' CG1' ' A' ' 19' ' ' ILE . 30.7 m-85 -90.8 119.1 30.74 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.4 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -104.27 -14.57 15.76 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 -177.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.546 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -128.57 149.09 18.23 Favored Glycine 0 N--CA 1.442 -0.926 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.126 177.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.486 HG11 ' HB2' ' A' ' 61' ' ' SER . 50.2 t -68.26 -28.72 41.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.907 0.384 . . . . 0.0 110.825 -177.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.45 ' HA ' HD11 ' A' ' 62' ' ' LEU . 66.5 t80 -65.57 -35.71 81.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.764 0.316 . . . . 0.0 110.263 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -64.53 -40.73 96.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.258 0.551 . . . . 0.0 110.08 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.573 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -67.62 -41.65 83.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.677 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.479 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 90.9 t80 -59.1 -45.55 90.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.37 176.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.57 -43.72 98.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.374 178.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.479 ' CE1' HD21 ' A' ' 21' ' ' LEU . 62.9 t80 -55.79 -45.28 78.24 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.687 179.447 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 89.4 mt -63.68 -19.07 64.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.191 -175.744 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -97.93 -31.67 12.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.697 0.284 . . . . 0.0 111.543 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 54.5 m80 -83.01 -39.75 20.86 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.81 -175.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -163.25 84.04 0.49 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.137 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.525 ' HB2' ' HA ' ' A' ' 39' ' ' LEU . 53.7 t-105 -117.4 109.44 42.11 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.085 174.593 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.89 -32.98 65.65 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.266 2.644 . . . . 0.0 114.068 -175.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.424 ' HB3' ' NE1' ' A' ' 43' ' ' TRP . . . -74.56 107.89 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.152 0.501 . . . . 0.0 110.76 -177.132 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 71.1 mtt-85 -101.35 179.56 4.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.822 -176.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 130.82 -18.27 5.12 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 -175.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 69.0 -53.04 0.58 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.953 0.901 . . . . 0.0 113.119 177.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 70.0 mtm-85 -61.73 -48.37 81.04 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.723 0.297 . . . . 0.0 111.12 -179.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.95 -30.26 68.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.293 0.568 . . . . 0.0 110.54 175.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.412 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 26.3 t-80 -68.63 -45.48 71.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.439 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -65.6 -35.06 79.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.226 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.469 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 34.7 tt0 -59.03 -51.81 68.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.411 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.41 91.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.756 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.446 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 97.2 mt -62.04 -44.29 97.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.741 177.631 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 45.7 ttm-85 -62.35 -41.14 98.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.592 -177.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 78.0 mt -60.02 -43.95 94.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.444 178.29 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.479 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 63.1 m -66.03 -42.5 89.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.723 178.426 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.465 HH11 ' HD2' ' A' ' 59' ' ' ARG . 63.8 mtt180 -60.9 -44.52 97.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.27 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.74 -39.69 92.46 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.835 0.35 . . . . 0.0 110.986 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.486 ' HB2' HG11 ' A' ' 32' ' ' VAL . 16.9 m -63.35 -39.75 95.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.353 0.597 . . . . 0.0 109.982 177.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.554 HD23 HG12 ' A' ' 11' ' ' VAL . 51.8 mt -86.25 9.39 17.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.651 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 58.6 ttp -112.71 -54.86 2.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.278 -176.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -160.28 -66.18 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 119.149 -1.5 . . . . 0.0 114.65 -176.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -132.85 88.48 2.52 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -165.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.542 HG11 ' HB2' ' A' ' 71' ' ' ALA . 55.1 t -140.56 123.94 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.259 165.382 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.437 ' HB3' HD12 ' A' ' 70' ' ' ILE . . . -85.49 81.92 8.5 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.578 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 35.14 -91.5 0.01 OUTLIER Glycine 0 N--CA 1.469 0.855 0 N-CA-C 116.105 1.202 . . . . 0.0 116.105 167.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -51.54 -34.38 36.26 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.181 0.592 . . . . 0.0 112.213 -176.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.437 HD12 ' HB3' ' A' ' 67' ' ' ALA . 66.5 mt -59.65 -48.35 87.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.844 0.354 . . . . 0.0 110.441 178.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.542 ' HB2' HG11 ' A' ' 66' ' ' VAL . . . -59.58 -34.33 72.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.263 176.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.533 ' HD2' ' HB2' ' A' ' 15' ' ' LYS . 71.9 ttt-85 -63.79 -52.63 59.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.809 0.338 . . . . 0.0 110.586 -178.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.3 m -62.38 -38.67 90.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.062 0.458 . . . . 0.0 110.636 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.06 -34.86 79.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.718 177.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -68.57 -36.61 79.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.061 177.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 75.6 t -65.76 -37.77 80.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.038 0.447 . . . . 0.0 110.361 175.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.55 -30.18 70.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.776 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.75 -41.96 25.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.942 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.4 p -73.9 -10.15 59.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.256 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -62.11 -25.79 67.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.351 0.596 . . . . 0.0 109.486 175.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -70.4 -11.83 61.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.075 178.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.11 -9.54 57.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.836 0.35 . . . . 0.0 110.334 176.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 64.73 25.22 12.98 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.515 176.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 43.2 t -155.24 93.59 1.53 Allowed 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.12 0.486 . . . . 0.0 110.131 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.4 mt -96.58 141.82 29.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.345 178.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.761 ' SD ' ' HB ' ' A' ' 18' ' ' THR . 48.5 ttp . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.815 0.34 . . . . 0.0 110.918 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.6 mtp . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -70.78 107.41 3.97 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 174.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.7 m -76.84 156.99 5.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.02 -177.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -77.05 -9.31 58.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.38 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -86.12 -174.02 4.86 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.086 172.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 95.4 mmm -120.72 171.53 8.53 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.385 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 52.9 tp -88.44 -35.02 17.3 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 175.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 99.0 mt -80.04 -17.44 52.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.218 176.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.548 HD21 ' HG3' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -124.93 91.68 3.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.427 175.894 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -49.94 -46.24 51.95 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 124.106 0.879 . . . . 0.0 111.648 -174.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.78 HG13 ' HB ' ' A' ' 32' ' ' VAL . 4.1 p -121.45 111.99 33.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.527 0.68 . . . . 0.0 110.511 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -87.91 145.51 26.01 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.778 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -90.71 -176.91 4.85 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -175.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.43 ' C ' ' HD2' ' A' ' 16' ' ' PRO . 27.8 mm-40 -66.62 -28.7 68.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.217 178.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 14' ' ' GLU . 56.8 tttp 111.61 -55.93 0.0 OUTLIER Pre-proline 0 N--CA 1.48 1.038 0 C-N-CA 125.74 1.616 . . . . 0.0 112.94 175.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.43 ' HD2' ' C ' ' A' ' 14' ' ' GLU . 61.1 Cg_endo -73.47 57.47 3.55 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.749 1.633 . . . . 0.0 113.54 -177.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 45.0 t -112.74 107.31 22.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 177.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.562 ' HB ' ' SD ' ' A' ' 86' ' ' MET . 11.9 m -107.43 122.9 47.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.999 -174.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.6 mm -101.03 119.46 49.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.726 172.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 t -83.83 106.05 15.21 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.1 mt -87.76 126.02 34.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.417 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -62.13 -48.22 81.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.769 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -96.98 15.97 20.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.019 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -139.07 -116.14 1.36 Allowed Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.203 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -158.3 162.77 26.23 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -176.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.22 101.94 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.826 2.351 . . . . 0.0 111.867 172.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -96.85 112.29 24.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.487 -177.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 59.6 mt -92.66 119.73 40.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.157 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -91.6 153.25 19.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.612 -178.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -108.13 -25.0 11.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.144 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.464 ' HA3' ' OD1' ' A' ' 9' ' ' ASN . . . -137.11 155.23 22.69 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.478 -177.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.78 ' HB ' HG13 ' A' ' 11' ' ' VAL . 40.3 t -71.56 -26.28 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.156 0.503 . . . . 0.0 109.915 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -63.89 -35.97 82.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.284 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.548 ' HG3' HD21 ' A' ' 9' ' ' ASN . 45.6 mt-10 -65.35 -45.98 82.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.199 0.523 . . . . 0.0 109.799 177.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.516 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -63.54 -43.74 96.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.248 -178.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.406 ' HA ' HD12 ' A' ' 39' ' ' LEU . 80.6 t80 -60.01 -42.73 94.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.637 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -67.79 -42.66 81.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.115 0.483 . . . . 0.0 110.323 178.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -58.22 -39.52 79.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.386 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 88.7 mt -59.55 -24.66 63.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.026 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -97.84 -26.74 14.59 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.111 -177.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -76.56 -76.76 0.15 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.81 -176.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -136.04 68.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.12 0.486 . . . . 0.0 111.549 -173.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.424 ' HA ' ' HD2' ' A' ' 44' ' ' PRO . 68.1 t-105 -90.1 117.49 68.1 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 171.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 43' ' ' TRP . 9.5 Cg_endo -49.9 -71.56 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.765 2.977 . . . . 0.0 113.823 -171.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.18 106.38 15.8 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.0 mtt-85 -62.2 -78.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.69 -174.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.74 -98.49 0.56 Allowed Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.375 -0.917 . . . . 0.0 113.06 169.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.454 ' CG ' ' H ' ' A' ' 49' ' ' ARG . 15.5 t70 -166.93 -139.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -174.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.454 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 61.1 mtt85 -57.21 -35.15 69.3 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.56 -36.73 76.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -64.81 -43.62 92.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.806 175.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -65.49 -37.34 86.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.851 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -59.88 -38.13 81.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.72 177.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.95 -51.48 69.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.553 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.473 HD12 HD13 ' A' ' 39' ' ' LEU . 8.9 mp -63.92 -39.84 95.1 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.956 0.408 . . . . 0.0 110.855 177.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -58.33 -51.14 71.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.138 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.9 -33.85 74.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.414 -177.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 70.9 m -64.38 -36.04 82.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.056 0.455 . . . . 0.0 110.14 175.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -65.41 -41.2 93.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.291 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.25 -31.03 69.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.898 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.3 m -64.27 -31.03 72.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.634 177.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.681 HD23 HG12 ' A' ' 11' ' ' VAL . 92.1 mt -64.19 -26.26 68.44 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.769 178.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 62.7 mtt -83.25 -18.31 39.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.724 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.68 31.39 21.49 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.962 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -110.17 6.37 22.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 111.295 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 64.4 t -133.07 136.71 54.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -92.77 169.12 10.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.62 0.248 . . . . 0.0 110.807 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.13 -59.06 11.51 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.941 -0.572 . . . . 0.0 113.797 -173.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.408 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 14.1 mm-40 -69.0 -26.82 65.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.819 0.309 . . . . 0.0 110.942 -175.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 61.4 mt -62.79 -56.03 20.04 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 120.882 0.372 . . . . 0.0 110.374 177.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.92 85.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.295 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.479 ' O ' HG23 ' A' ' 76' ' ' VAL . 68.4 ttt180 -57.82 -50.5 73.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.328 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.9 m -61.32 -42.21 98.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.034 0.445 . . . . 0.0 110.765 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.33 -31.91 67.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -64.86 -36.53 84.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.687 177.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 72' ' ' ARG . 89.8 t -66.08 -37.08 78.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.254 176.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 80' ' ' ARG . . . -64.31 -36.96 85.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.783 177.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.63 -41.21 72.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.091 0.472 . . . . 0.0 110.37 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.3 t -65.26 -25.97 67.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.291 177.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.477 ' HB3' ' O ' ' A' ' 77' ' ' ALA . 47.2 ttt180 -62.95 -42.59 99.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.718 176.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -63.96 -38.94 92.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.163 0.506 . . . . 0.0 110.034 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.14 -13.4 60.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.332 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.6 m170 62.28 28.2 16.84 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.103 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.2 t -105.32 29.13 6.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.467 0.651 . . . . 0.0 109.487 -176.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.05 139.54 58.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.04 -175.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.562 ' SD ' ' HB ' ' A' ' 18' ' ' THR . 19.8 ttt -69.17 124.62 24.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.348 175.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -71.34 116.14 11.32 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -59.52 140.57 56.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.969 -173.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -115.67 166.8 11.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.924 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -118.47 132.16 56.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.276 178.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -84.21 132.79 34.62 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 55.76 72.03 1.11 Allowed Pre-proline 0 N--CA 1.465 0.307 0 O-C-N 123.799 0.687 . . . . 0.0 110.843 -174.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -87.16 -9.94 5.92 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.735 2.29 . . . . 0.0 113.221 -175.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -110.7 98.72 7.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.037 0.446 . . . . 0.0 110.775 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 34.3 p -112.49 -175.47 2.69 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.827 -178.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.5 tt -130.33 153.49 39.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.41 -38.63 55.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.756 0.312 . . . . 0.0 111.166 -175.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.4 p -82.18 102.68 11.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.09 0.471 . . . . 0.0 110.909 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -138.41 -79.11 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.058 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.818 -0.61 . . . . 0.0 109.738 178.824 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.0 mtp . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 120.888 0.375 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -82.26 75.83 9.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.194 0.521 . . . . 0.0 111.332 -178.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.2 m -93.5 73.73 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.926 0.869 . . . . 0.0 109.528 173.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -74.82 142.7 44.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.391 -172.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 m -73.53 102.87 3.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.57 174.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.571 ' H ' ' HE1' ' A' ' 33' ' ' TYR . 64.2 mtt -94.64 133.2 38.56 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.401 -178.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 85.7 mt -80.65 -24.27 39.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.39 -178.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 92.1 mt -79.19 97.11 6.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.217 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.423 HD22 ' N ' ' A' ' 9' ' ' ASN . 0.9 OUTLIER -105.12 124.41 49.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.498 179.642 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -58.37 -48.06 81.81 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.147 0.499 . . . . 0.0 110.493 175.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.0 t -114.16 112.47 40.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.728 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -89.14 142.66 27.45 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 171.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.469 ' CZ3' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -78.85 128.48 33.4 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.782 -179.46 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.06 -48.45 20.78 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -97.6 105.43 26.22 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.518 172.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.472 ' HB2' HG23 ' A' ' 28' ' ' ILE . 31.2 Cg_endo -62.43 150.28 87.92 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 123.13 2.553 . . . . 0.0 113.253 -171.177 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.546 HG22 ' HG3' ' A' ' 72' ' ' ARG . 43.5 t -103.56 105.91 19.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.953 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 m -95.67 108.38 20.66 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.246 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.574 HD11 ' HZ3' ' A' ' 43' ' ' TRP . 20.5 tt -101.25 132.17 47.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.079 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.3 p -101.93 119.7 39.21 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.055 0.455 . . . . 0.0 110.903 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.76 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 10.4 mp -67.14 164.26 18.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.667 174.118 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.7 -16.96 64.25 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -170.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -92.89 11.68 26.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.044 0.45 . . . . 0.0 110.793 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.411 ' O ' ' HD3' ' A' ' 26' ' ' PRO . . . 77.37 45.82 10.8 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.053 -0.594 . . . . 0.0 111.93 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.76 ' HB3' ' HB2' ' A' ' 21' ' ' LEU . . . -111.74 97.48 37.51 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-O 120.666 0.269 . . . . 0.0 110.781 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 24' ' ' GLY . 4.9 Cg_exo -76.3 117.8 4.73 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 123.219 2.613 . . . . 0.0 112.104 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.544 HH11 ' HE1' ' A' ' 38' ' ' PHE . 99.3 mtt180 -115.08 117.55 30.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.047 176.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.472 HG23 ' HB2' ' A' ' 16' ' ' PRO . 62.2 mt -91.44 116.82 33.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.583 -176.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.462 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 33.3 m-85 -79.05 127.01 31.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.648 178.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -84.96 -41.92 15.43 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.979 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.41 161.53 21.51 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.804 -0.713 . . . . 0.0 111.88 -178.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.605 HG11 ' HB2' ' A' ' 61' ' ' SER . 78.5 t -62.87 -38.48 81.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.012 0.434 . . . . 0.0 111.343 -178.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.571 ' HE1' ' H ' ' A' ' 6' ' ' MET . 58.2 t80 -66.52 -33.68 76.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.188 -178.099 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -65.76 -36.29 83.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.373 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.458 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -67.26 -40.31 86.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.404 176.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -62.47 -42.04 99.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.508 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -59.73 -52.42 65.55 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.948 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.544 ' HE1' HH11 ' A' ' 27' ' ' ARG . 84.6 t80 -54.02 -42.07 68.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.471 -178.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.1 mt -61.95 -27.86 69.13 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -176.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -100.87 -27.55 13.26 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.259 -178.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -83.6 -48.13 10.55 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.735 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -139.49 77.86 1.64 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.993 0.425 . . . . 0.0 111.773 -174.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.574 ' HZ3' HD11 ' A' ' 19' ' ' ILE . 60.2 t-105 -111.39 107.31 57.09 Favored Pre-proline 0 C--N 1.318 -0.771 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 173.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -82.75 37.81 0.7 Allowed 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 123.178 2.585 . . . . 0.0 113.289 -173.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.25 -171.57 2.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.315 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -112.21 -122.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.042 175.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.19 -34.98 3.23 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.243 -0.98 . . . . 0.0 111.58 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.8 t70 58.73 -91.12 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.282 0.633 . . . . 0.0 111.319 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -64.05 -43.55 95.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.708 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.87 -32.16 73.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.84 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 47.3 t60 -70.9 -47.44 59.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.253 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -65.2 -39.28 92.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.894 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.611 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 35.6 tt0 -59.58 -49.01 79.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.641 176.422 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.516 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -57.74 -41.78 82.55 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.341 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.3 mt -64.08 -43.82 94.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.97 0.414 . . . . 0.0 110.499 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -64.12 -40.01 95.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.083 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 84.7 mt -56.21 -49.84 72.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.414 177.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 55.5 m -65.53 -41.3 93.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.534 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -61.44 -47.49 85.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.717 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.3 -27.93 64.78 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.385 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.605 ' HB2' HG11 ' A' ' 32' ' ' VAL . 61.8 m -70.78 -36.09 72.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.378 177.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.7 mt -68.96 -27.57 65.85 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.437 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 87.2 mtp -72.1 -33.13 67.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.087 175.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.9 20.27 10.87 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.559 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -98.15 -23.63 15.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 122.613 -0.345 . . . . 0.0 111.334 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.51 HG11 ' HB2' ' A' ' 71' ' ' ALA . 60.7 t -101.79 116.84 46.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 176.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.87 65.62 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -175.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.04 -84.12 0.07 OUTLIER Glycine 0 CA--C 1.522 0.524 0 N-CA-C 115.04 0.776 . . . . 0.0 115.04 169.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -66.94 -25.71 66.48 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -170.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.6 mt -59.42 -41.36 84.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.005 0.431 . . . . 0.0 110.205 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.51 ' HB2' HG11 ' A' ' 66' ' ' VAL . . . -72.09 -36.82 69.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.336 177.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.546 ' HG3' HG22 ' A' ' 17' ' ' VAL . 29.0 ttt180 -58.39 -48.3 81.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.425 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.9 m -66.05 -43.67 86.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.064 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.1 -36.01 77.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.244 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -57.86 -49.83 75.36 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.033 0.444 . . . . 0.0 110.147 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 97.0 t -63.73 -41.37 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.561 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.33 -44.03 88.49 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.359 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.6 -34.01 75.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.048 0.452 . . . . 0.0 111.012 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.0 m -76.53 -9.95 59.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.701 -176.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.722 ' HG2' HD11 ' A' ' 85' ' ' LEU . 35.5 mtp180 -64.66 -31.14 72.22 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.779 0.323 . . . . 0.0 110.749 -178.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -67.45 -25.66 66.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.69 -15.98 61.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.674 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 38.9 m80 62.91 37.19 12.22 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.289 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 35.9 t -150.21 92.66 1.9 Allowed 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.619 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.722 HD11 ' HG2' ' A' ' 80' ' ' ARG . 94.4 mt -122.52 178.06 5.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.967 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 91.9 mmm -76.89 -25.73 53.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.423 176.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -74.1 99.05 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -86.17 -162.37 0.74 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.679 178.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -73.75 76.12 1.57 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.376 0.608 . . . . 0.0 111.276 -176.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -140.58 68.39 1.35 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.123 -0.944 . . . . 0.0 108.989 174.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -91.61 96.01 10.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.53 -174.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.412 ' HA ' ' HD2' ' A' ' 93' ' ' PRO . . . -122.42 97.41 44.96 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.12 177.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 92' ' ' ALA . 25.7 Cg_endo -63.81 -60.75 0.14 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.232 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -94.72 173.69 7.48 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.294 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.6 p -99.0 122.24 42.0 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.195 0.522 . . . . 0.0 112.175 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.421 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.8 mp -109.35 147.43 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 174.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.76 16.53 0.11 Allowed 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -175.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.9 p -87.55 11.99 13.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.808 0.337 . . . . 0.0 110.421 178.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -57.67 111.01 2.66 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.589 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.8 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.264 -0.874 . . . . 0.0 108.838 -178.193 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ttt . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -73.28 110.35 7.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.076 0.465 . . . . 0.0 111.227 -177.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.4 m -92.67 144.89 8.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.395 172.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -61.74 -42.89 99.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.951 0.405 . . . . 0.0 111.096 -176.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 t -123.75 126.67 46.92 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.173 -0.676 . . . . 0.0 109.173 176.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 87.7 mtp -96.98 145.61 25.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.848 -176.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.8 tp -72.19 -36.74 69.31 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.779 HD22 ' HA ' ' A' ' 63' ' ' MET . 77.9 mt -85.66 120.32 26.96 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 174.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -102.32 163.86 12.0 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -173.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -69.28 100.9 1.39 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.544 175.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.2 t -89.43 104.47 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-O 121.275 0.56 . . . . 0.0 109.967 -175.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.562 ' HD3' ' HA3' ' A' ' 31' ' ' GLY . 68.9 mmtt -89.3 157.69 18.11 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.31 176.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -169.5 2.57 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.211 178.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.04 -57.45 10.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.697 174.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.55 -59.85 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.868 175.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -91.16 129.6 1.31 Allowed 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 121.881 1.72 . . . . 0.0 114.189 -171.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 60.5 t -141.2 89.19 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 166.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 m -86.75 106.61 17.79 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -171.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.405 ' CG1' ' HE2' ' A' ' 29' ' ' PHE . 35.6 mm -113.02 104.63 17.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.133 174.079 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.675 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 55.8 m -80.83 101.02 9.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.037 0.446 . . . . 0.0 110.77 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.458 HD21 ' CZ ' ' A' ' 38' ' ' PHE . 81.8 mt -71.5 145.02 49.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.886 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -60.01 -18.46 46.17 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.307 0.575 . . . . 0.0 110.52 175.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -67.16 -12.88 61.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.614 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.46 44.19 3.52 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.089 -0.577 . . . . 0.0 112.225 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -154.45 110.44 2.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.712 0.292 . . . . 0.0 111.32 -178.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.675 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 4.4 Cg_exo -77.8 96.28 1.09 Allowed 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 123.038 2.492 . . . . 0.0 111.073 171.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -83.68 117.84 23.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.53 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.476 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 67.0 mt -97.4 105.81 17.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.075 178.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.405 ' HE2' ' CG1' ' A' ' 19' ' ' ILE . 23.6 m-85 -84.65 145.58 27.92 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -117.85 -5.65 11.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.074 0.464 . . . . 0.0 110.959 -178.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.562 ' HA3' ' HD3' ' A' ' 12' ' ' LYS . . . -135.28 157.28 23.06 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 120.825 -0.703 . . . . 0.0 111.922 178.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.564 HG11 ' HB2' ' A' ' 61' ' ' SER . 47.0 t -72.67 -32.1 39.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.974 0.416 . . . . 0.0 111.038 -176.038 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -67.11 -36.35 81.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.518 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.25 -41.01 98.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.643 179.069 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.595 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -65.86 -43.42 88.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.969 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -61.92 -44.26 97.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.63 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.8 -41.35 83.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.308 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.458 ' CZ ' HD21 ' A' ' 21' ' ' LEU . 26.1 t80 -58.18 -39.85 79.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.68 178.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 94.2 mt -60.63 -27.67 67.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.941 -176.369 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -92.45 -7.98 46.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.834 0.349 . . . . 0.0 110.851 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -98.92 -84.6 0.4 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.886 -176.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -117.36 37.6 3.83 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -168.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -66.58 110.89 5.54 Favored Pre-proline 0 CA--C 1.533 0.316 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 172.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -85.46 29.76 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.248 2.632 . . . . 0.0 113.834 -168.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -158.01 -174.76 4.99 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -90.75 -167.82 1.92 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 175.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.56 ' HA2' ' OE1' ' A' ' 81' ' ' GLN . . . 172.49 -47.58 0.17 Allowed Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.575 176.385 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.458 ' OD1' ' HG3' ' A' ' 49' ' ' ARG . 9.5 t70 55.89 -90.45 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.443 0.697 . . . . 0.0 111.517 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.458 ' HG3' ' OD1' ' A' ' 48' ' ' ASP . 99.9 mtt180 -87.82 -30.4 20.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.874 -178.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.12 -29.12 63.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.713 0.768 . . . . 0.0 109.033 172.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.508 ' HB2' ' HA3' ' A' ' 47' ' ' GLY . 20.4 t60 -71.5 -41.1 69.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.238 175.209 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -61.2 -40.52 94.26 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.493 174.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.605 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 35.8 tt0 -54.26 -49.12 70.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.113 176.222 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.508 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -64.08 -43.03 96.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.246 179.293 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.25 -42.9 96.29 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.108 0.48 . . . . 0.0 110.584 177.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -66.38 -39.83 89.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.766 -177.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 79.4 mt -56.15 -52.41 64.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.479 176.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 37.5 m -63.78 -40.01 95.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.589 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -63.63 -51.17 66.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.734 -178.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.25 -32.09 72.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.406 -177.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.564 ' HB2' HG11 ' A' ' 32' ' ' VAL . 51.0 m -66.53 -41.82 88.18 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 176.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 72.2 mt -67.4 -26.26 66.36 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.901 0.381 . . . . 0.0 110.658 176.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.779 ' HA ' HD22 ' A' ' 8' ' ' LEU . 90.7 mtp -78.81 -8.47 58.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.679 175.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.28 20.84 59.77 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.607 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -93.49 -53.39 4.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.886 0.374 . . . . 0.0 110.482 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.8 t -84.13 133.04 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.195 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.35 26.91 0.52 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -175.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.7 -54.09 4.9 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.735 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -58.35 -52.44 65.59 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.806 0.336 . . . . 0.0 111.162 -176.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 59.0 mt -55.6 -35.94 40.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.53 -36.34 82.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.977 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.459 ' O ' HG23 ' A' ' 76' ' ' VAL . 27.9 mtp-105 -64.9 -54.36 32.0 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 120.806 0.336 . . . . 0.0 110.685 -178.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.7 m -56.4 -47.34 79.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.726 -176.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.25 -30.89 65.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.143 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -65.55 -43.38 90.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.015 0.435 . . . . 0.0 109.958 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 72' ' ' ARG . 59.4 t -66.91 -29.65 47.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.2 177.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.46 -37.06 77.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.077 0.465 . . . . 0.0 110.677 177.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.12 -29.6 61.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.71 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.7 m -71.12 -2.89 17.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.852 -178.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.681 ' HG2' HD11 ' A' ' 85' ' ' LEU . 97.1 mtt180 -65.66 -32.14 73.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.606 0.241 . . . . 0.0 110.604 178.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.56 ' OE1' ' HA2' ' A' ' 47' ' ' GLY . 97.0 mt-30 -69.01 -30.27 68.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.972 0.415 . . . . 0.0 110.706 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.32 -17.84 41.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.448 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 66.84 16.72 10.44 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.139 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 79.9 m -85.69 34.89 0.6 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.381 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.681 HD11 ' HG2' ' A' ' 80' ' ' ARG . 64.6 mt -71.04 117.38 12.47 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.379 0.609 . . . . 0.0 111.788 -175.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 83.1 mmm -136.83 138.27 40.62 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.348 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -95.14 130.69 41.75 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 170.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -65.05 172.5 2.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.522 0.677 . . . . 0.0 112.156 -170.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -87.47 19.26 3.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.504 -172.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.47 -32.77 60.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.185 0.517 . . . . 0.0 109.744 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -130.32 -155.99 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.113 175.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 70.72 93.23 0.05 OUTLIER Pre-proline 0 N--CA 1.464 0.246 0 CA-C-O 121.295 0.569 . . . . 0.0 111.417 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -77.76 -36.44 1.16 Allowed 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.622 2.215 . . . . 0.0 112.365 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -133.45 151.7 51.82 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.0 m -69.12 -18.13 63.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.547 0.689 . . . . 0.0 109.982 176.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 37.8 mt -68.0 -23.68 29.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.911 175.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.49 172.12 6.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.479 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.3 m -151.55 177.01 10.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.918 177.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -66.6 -26.72 72.93 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.064 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.8 t . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.547 -0.74 . . . . 0.0 109.503 177.516 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.6 mtt . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -111.18 120.54 42.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.518 -175.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.5 p -111.57 102.62 14.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.396 0.617 . . . . 0.0 110.223 176.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -83.51 109.68 17.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.802 178.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.8 p -92.1 111.27 22.76 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.539 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 96.3 mmm -72.0 113.63 9.24 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.6 mt -66.21 138.29 57.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.71 -178.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.7 mt -82.99 146.14 28.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.713 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -109.16 163.56 13.24 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -129.36 134.97 48.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.989 0.423 . . . . 0.0 110.943 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.683 HG12 HD23 ' A' ' 62' ' ' LEU . 7.3 p -143.39 132.07 19.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.746 175.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.563 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 69.5 mmtt -98.38 167.46 10.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.668 -177.124 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -100.74 137.75 38.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.19 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -75.28 -32.51 61.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.14 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -125.53 104.36 27.99 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.133 175.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -49.19 140.21 25.98 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.656 2.904 . . . . 0.0 113.225 -175.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 50.9 t -104.98 117.52 50.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.476 -178.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.567 ' O ' ' HB2' ' A' ' 86' ' ' MET . 4.8 m -94.88 112.2 23.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.624 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.596 HD11 ' HZ3' ' A' ' 43' ' ' TRP . 16.6 tt -94.03 124.3 46.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.487 ' HB2' ' CG ' ' A' ' 86' ' ' MET . 3.6 t -93.59 100.91 13.08 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.121 0.486 . . . . 0.0 110.077 -177.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.3 mt -78.27 144.01 36.53 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.853 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.077 -172.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -75.2 -1.16 22.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.907 0.384 . . . . 0.0 110.886 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.85 35.39 7.23 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.119 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.21 101.0 49.96 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-O 120.67 0.271 . . . . 0.0 110.826 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -78.69 97.36 1.13 Allowed 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 123.031 2.487 . . . . 0.0 111.002 174.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.722 HH11 ' HE1' ' A' ' 29' ' ' PHE . 18.2 ttt180 -88.86 111.77 22.46 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -178.022 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.8 mt -87.87 110.04 20.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.586 -177.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.722 ' HE1' HH11 ' A' ' 27' ' ' ARG . 51.4 m-85 -81.68 118.44 22.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.312 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -89.87 -19.8 24.17 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.685 178.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.563 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -139.42 155.14 23.93 Favored Glycine 0 N--CA 1.44 -1.043 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.944 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.521 HG11 ' HB2' ' A' ' 61' ' ' SER . 18.7 t -68.56 -30.29 46.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.974 0.416 . . . . 0.0 110.605 -176.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -65.23 -37.87 88.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.592 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -62.37 -38.03 88.02 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.068 0.461 . . . . 0.0 110.626 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.595 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -65.23 -48.0 74.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.117 177.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.503 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 80.8 t80 -58.04 -48.37 80.31 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.624 176.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.89 -50.41 73.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.943 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.483 ' HB2' ' NH1' ' A' ' 27' ' ' ARG . 66.8 t80 -59.18 -43.62 92.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.584 -177.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 91.7 mt -58.89 -36.52 74.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.677 -177.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -94.09 -12.5 28.35 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 121.091 -0.243 . . . . 0.0 111.496 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -80.06 -61.7 1.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.015 0.436 . . . . 0.0 110.043 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.427 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 42.7 tt0 -157.63 98.98 1.7 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.946 176.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.596 ' HZ3' HD11 ' A' ' 19' ' ' ILE . 63.4 t-105 -98.7 95.91 3.47 Favored Pre-proline 0 C--N 1.314 -0.942 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.006 173.297 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 42' ' ' GLU . 73.7 Cg_endo -76.84 -18.04 15.21 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.727 2.285 . . . . 0.0 112.663 -174.301 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.42 -166.0 1.43 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.444 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -133.65 172.71 12.39 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.27 -30.7 0.3 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.077 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.451 ' OD2' ' HG3' ' A' ' 49' ' ' ARG . 24.8 t70 71.58 -102.2 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 122.755 0.422 . . . . 0.0 110.371 173.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.451 ' HG3' ' OD2' ' A' ' 48' ' ' ASP . 86.2 mtm180 -77.07 -21.86 53.74 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.57 177.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.25 -33.53 75.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.428 0.632 . . . . 0.0 109.344 173.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -66.53 -43.64 84.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.817 174.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -66.05 -42.7 89.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.381 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -56.2 -44.07 79.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.886 177.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.05 -49.82 75.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.574 177.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.465 HD21 ' HB2' ' A' ' 39' ' ' LEU . 57.8 mt -59.08 -51.35 70.41 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.302 178.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -55.5 -47.66 75.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.196 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.2 mt -68.82 -37.67 79.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.237 -178.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.503 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 87.5 m -61.03 -45.15 95.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.667 0.27 . . . . 0.0 110.848 177.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.2 ttp85 -70.33 -34.82 73.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.707 0.289 . . . . 0.0 110.712 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.65 -28.62 67.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.92 0.39 . . . . 0.0 110.912 177.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.521 ' HB2' HG11 ' A' ' 32' ' ' VAL . 38.1 m -70.35 -36.0 73.91 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 174.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.683 HD23 HG12 ' A' ' 11' ' ' VAL . 90.0 mt -66.59 -29.53 69.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.056 176.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 84.9 mtp -73.51 -14.0 61.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.551 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.01 13.12 64.83 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.398 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -91.68 -49.96 6.01 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -178.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.0 t -84.19 128.53 38.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.501 -177.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.41 156.59 35.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.428 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.3 -42.18 81.87 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.777 -0.647 . . . . 0.0 113.313 -175.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -64.36 -48.93 73.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.639 0.257 . . . . 0.0 110.875 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.0 mt -56.16 -48.6 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.751 -178.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.85 -40.73 96.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.153 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.511 ' O ' HG23 ' A' ' 76' ' ' VAL . 10.4 ttt180 -67.99 -52.47 35.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.228 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.9 m -59.04 -39.06 80.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.883 0.373 . . . . 0.0 111.262 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.57 -32.32 71.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.966 178.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -72.41 -30.67 64.85 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 178.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 72' ' ' ARG . 99.5 t -62.3 -42.38 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.066 174.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.17 -37.36 85.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.544 176.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.18 -46.44 73.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.203 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.3 p -70.42 -23.09 62.68 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.926 0.393 . . . . 0.0 110.819 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -61.88 -45.03 95.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.07 174.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -77.75 -25.0 48.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.095 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.56 -58.09 7.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.414 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -173.52 -55.36 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.029 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 46.1 t -155.04 99.35 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.229 0.537 . . . . 0.0 110.678 -174.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.639 HD23 ' H ' ' A' ' 85' ' ' LEU . 2.3 pt? -64.28 143.08 58.16 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.859 172.268 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.567 ' HB2' ' O ' ' A' ' 18' ' ' THR . 95.2 mmm -129.5 171.15 12.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.979 0.419 . . . . 0.0 110.878 -179.273 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -111.39 -172.59 2.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.276 -177.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.489 ' HB3' HH12 ' A' ' 72' ' ' ARG . 14.3 p-10 -102.14 132.06 48.26 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 172.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.577 ' HG2' ' H ' ' A' ' 91' ' ' GLU . 80.0 tttt -77.0 132.83 39.18 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.709 -173.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.31 -20.02 65.98 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.125 0.488 . . . . 0.0 110.581 178.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.577 ' H ' ' HG2' ' A' ' 89' ' ' LYS . 35.5 tt0 -81.04 78.04 7.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.642 176.057 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.819 ' H ' ' HD2' ' A' ' 93' ' ' PRO . . . -128.05 -51.79 0.03 OUTLIER Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.084 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.819 ' HD2' ' H ' ' A' ' 92' ' ' ALA . 30.2 Cg_endo -63.83 160.94 34.71 Favored 'Trans proline' 0 C--N 1.357 1.006 0 C-N-CA 121.806 1.671 . . . . 0.0 111.396 174.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -66.73 -40.89 88.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.924 0.392 . . . . 0.0 110.017 -176.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -119.07 150.71 39.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.993 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 69.2 mt -99.2 118.15 45.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.81 -48.75 77.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.421 -176.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.3 m -90.51 90.42 8.0 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.028 0.442 . . . . 0.0 110.176 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 140.96 -153.94 24.12 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.56 -177.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.5 m . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.68 -0.676 . . . . 0.0 109.555 177.834 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.5 ttp . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.861 0.362 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -73.43 97.11 2.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.311 0.577 . . . . 0.0 111.581 -176.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.4 m -116.47 154.43 18.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.984 175.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 66.62 98.54 0.05 OUTLIER 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.351 0.596 . . . . 0.0 110.583 -178.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.4 m -62.15 137.93 58.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.233 -174.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 77.6 mtp -78.01 -27.77 48.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.361 173.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.2 mt -98.48 -157.39 0.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.311 -0.859 . . . . 0.0 108.998 173.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.4 mt -89.91 -58.75 2.4 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 174.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -126.68 130.43 50.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.53 -0.759 . . . . 0.0 108.955 175.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -90.58 124.27 34.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.707 0.289 . . . . 0.0 110.785 -175.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.673 HG13 ' HB ' ' A' ' 32' ' ' VAL . 7.2 p -126.57 119.71 54.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.542 0.687 . . . . 0.0 110.098 174.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.5 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 96.1 mttt -125.02 165.19 18.61 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.24 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.63 143.79 27.27 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -172.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -80.92 -25.12 37.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.125 172.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -126.54 106.04 23.78 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.038 176.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.88 139.73 84.59 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 123.074 2.516 . . . . 0.0 112.548 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.6 t -96.75 119.22 44.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.835 0.35 . . . . 0.0 110.785 -176.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.3 m -98.16 108.31 20.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.997 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.428 ' CG1' ' HE2' ' A' ' 29' ' ' PHE . 19.7 mm -98.3 114.37 35.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.085 178.186 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 p -81.36 106.69 13.52 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.306 177.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.9 mt -70.03 167.43 17.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.564 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -65.6 -13.39 58.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.331 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -84.51 6.43 23.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.642 177.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.57 32.83 67.42 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.894 -0.669 . . . . 0.0 111.594 -178.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -119.04 119.0 32.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.519 0.2 . . . . 0.0 111.05 -176.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 6.1 Cg_exo -75.22 108.24 2.66 Favored 'Trans proline' 0 N--CA 1.463 -0.265 0 C-N-CA 123.163 2.575 . . . . 0.0 111.891 176.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -102.85 112.06 24.68 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.3 mt -94.81 128.23 46.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.563 -172.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.428 ' HE2' ' CG1' ' A' ' 19' ' ' ILE . 36.4 m-85 -106.69 141.38 38.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.629 176.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -106.57 -21.14 13.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.062 0.458 . . . . 0.0 110.667 -177.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.5 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -127.94 157.46 21.1 Favored Glycine 0 N--CA 1.442 -0.924 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.673 ' HB ' HG13 ' A' ' 11' ' ' VAL . 54.5 t -68.6 -30.55 47.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.752 0.31 . . . . 0.0 110.861 -177.083 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -62.42 -41.04 98.41 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.829 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -59.48 -42.18 91.51 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.248 0.547 . . . . 0.0 110.1 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.538 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -65.65 -47.6 74.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.708 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -60.84 -47.93 84.12 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.938 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -58.3 -47.06 84.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.205 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -55.91 -47.46 77.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.196 178.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 95.5 mt -60.2 -41.25 92.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.445 -178.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -79.81 -26.92 40.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.337 -176.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -79.8 -63.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.115 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -150.82 80.82 1.33 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.313 0.578 . . . . 0.0 111.246 -176.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.526 ' HB2' ' HA ' ' A' ' 39' ' ' LEU . 32.1 t-105 -93.41 112.68 57.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.149 172.018 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 43' ' ' TRP . 17.8 Cg_exo -69.07 22.99 0.15 Allowed 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.725 2.95 . . . . 0.0 114.466 -175.105 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.422 ' HB3' ' NE1' ' A' ' 43' ' ' TRP . . . -135.1 115.66 13.68 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 44.4 mtm-85 -107.35 157.33 18.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.416 0.627 . . . . 0.0 111.642 -174.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.444 ' O ' ' HB3' ' A' ' 48' ' ' ASP . . . 170.25 -98.59 0.14 Allowed Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 175.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.444 ' HB3' ' O ' ' A' ' 47' ' ' GLY . 11.9 p-10 175.12 -49.81 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 122.804 0.442 . . . . 0.0 109.876 174.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.553 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 68.8 mtm-85 -62.26 -66.59 0.52 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.705 -178.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.56 74.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.858 0.361 . . . . 0.0 111.277 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.421 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 10.5 t60 -65.0 -44.84 87.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.995 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -67.11 -46.62 73.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.041 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.553 ' HG3' ' O ' ' A' ' 49' ' ' ARG . 96.4 mt-30 -54.67 -51.74 64.53 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 -178.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.81 -41.5 86.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.49 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 51' ' ' HIS . 89.3 mt -66.55 -45.04 80.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.081 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -65.74 -35.97 82.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.678 -177.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 93.6 mt -60.35 -49.23 78.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.678 177.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 44.9 m -67.14 -30.16 70.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.097 0.475 . . . . 0.0 110.743 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.9 ttt85 -70.98 -39.29 72.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.469 176.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.53 -38.4 89.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.436 ' OG ' HG11 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -64.64 -34.81 79.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.557 0.218 . . . . 0.0 111.128 176.807 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.67 HD23 HG12 ' A' ' 11' ' ' VAL . 47.7 mt -67.95 -19.13 64.93 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.109 0.481 . . . . 0.0 110.743 176.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 87.4 mtp -95.72 3.67 53.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.329 178.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.88 28.05 65.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.187 -0.53 . . . . 0.0 112.359 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -98.31 -58.37 1.99 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.137 0.494 . . . . 0.0 109.978 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.6 t -87.52 129.69 38.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.316 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -115.83 116.69 28.45 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -174.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 48.48 -102.88 0.06 OUTLIER Glycine 0 C--N 1.334 0.446 0 CA-C-N 115.264 -0.88 . . . . 0.0 115.269 167.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.468 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 7.6 mm-40 -57.61 -31.98 66.76 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -174.128 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 59.3 mt -60.53 -47.44 92.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.141 0.496 . . . . 0.0 110.071 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 75' ' ' PHE . . . -70.9 -36.62 72.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.46 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.468 ' HB3' ' HA ' ' A' ' 69' ' ' GLU . 7.6 tpp85 -58.97 -54.36 48.05 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.981 178.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 m -67.93 -35.83 79.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.122 0.487 . . . . 0.0 111.079 -176.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.97 -34.43 66.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.287 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.461 ' CE2' HD11 ' A' ' 39' ' ' LEU . 11.0 t80 -62.89 -40.95 99.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.125 0.488 . . . . 0.0 110.004 179.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 89.4 t -65.54 -37.68 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.525 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.9 -37.4 87.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.2 -40.07 68.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.141 0.496 . . . . 0.0 110.789 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.5 m -75.47 -10.41 59.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.874 -178.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -64.25 -25.84 68.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.121 -178.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -65.45 -26.93 68.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.936 0.398 . . . . 0.0 110.69 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.27 -22.47 25.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.969 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 63.04 24.67 14.63 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.05 177.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 38.3 t -119.25 74.86 1.01 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 84.9 mt -108.21 164.66 12.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.557 -174.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 8.5 mmm -132.22 165.44 24.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.145 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -93.53 139.28 30.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.246 0.546 . . . . 0.0 111.846 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -76.65 -24.51 53.29 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 122.182 0.992 . . . . 0.0 108.67 170.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -63.0 -47.83 81.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 113.846 -1.524 . . . . 0.0 112.557 -177.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -120.73 125.6 48.03 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -169.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.721 ' HG2' ' HD3' ' A' ' 93' ' ' PRO . 39.6 tt0 -94.33 136.61 34.43 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 171.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.403 ' N ' ' HD3' ' A' ' 93' ' ' PRO . . . -136.52 69.5 60.53 Favored Pre-proline 0 C--N 1.327 -0.385 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -174.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.721 ' HD3' ' HG2' ' A' ' 91' ' ' GLU . 12.9 Cg_endo -95.1 -75.83 0.0 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 122.951 2.434 . . . . 0.0 110.637 166.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -162.12 -49.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 170.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.2 m -105.22 148.03 27.38 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 172.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.9 mm -95.99 133.94 35.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 120.71 0.291 . . . . 0.0 111.017 -172.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.72 87.4 5.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.062 0.458 . . . . 0.0 110.44 175.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.8 p -85.54 114.91 22.91 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.668 -179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -170.75 89.77 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.154 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.42 -0.8 . . . . 0.0 110.11 -179.423 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 121.022 0.439 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' A' ' 4' ' ' GLN . 3.2 mp0 -117.93 177.62 4.71 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -178.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 82.0 t -67.54 -47.51 80.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 171.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.489 ' O ' ' HB2' ' A' ' 2' ' ' GLU . 97.6 mt-30 -96.98 -167.34 1.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.397 -0.82 . . . . 0.0 108.92 171.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 p -124.65 119.97 30.52 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.197 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 66.5 mtm -75.59 152.81 37.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.974 175.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.9 mt -90.4 -20.61 22.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.006 0.431 . . . . 0.0 110.351 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.6 mt -76.07 105.14 6.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.361 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -83.09 126.64 32.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.448 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -74.08 93.17 2.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.311 0.577 . . . . 0.0 110.1 176.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.0 t -99.28 93.87 3.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.715 177.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.413 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 57.5 mttp -83.41 159.23 21.84 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.583 178.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -100.03 125.84 46.15 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 121.325 0.583 . . . . 0.0 111.257 -175.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -89.29 -19.43 25.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.265 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -128.28 88.53 52.4 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.545 173.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.401 ' HB3' ' O ' ' A' ' 29' ' ' PHE . 17.1 Cg_exo -67.54 171.15 12.32 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 123.41 2.74 . . . . 0.0 113.686 -172.015 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.9 t -122.28 136.59 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.674 177.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.44 ' OG1' ' HA ' ' A' ' 88' ' ' ASP . 7.3 m -96.92 104.55 16.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.27 -177.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.8 mm -100.4 117.06 45.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 t -89.05 122.5 32.45 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.1 mt -87.11 169.56 12.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.056 -177.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -56.84 -38.88 73.28 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.526 -171.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -70.3 -17.34 63.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.862 0.363 . . . . 0.0 111.487 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.35 38.4 3.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.802 -177.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.3 114.49 40.7 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-O 120.623 0.249 . . . . 0.0 110.643 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -75.32 105.04 2.01 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.959 2.439 . . . . 0.0 111.755 177.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.2 tpt85 -88.67 104.97 17.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.947 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.1 mt -86.34 114.58 26.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.421 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.401 ' O ' ' HB3' ' A' ' 16' ' ' PRO . 88.8 m-85 -83.5 117.76 23.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.214 0.531 . . . . 0.0 111.021 -178.104 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -86.99 -5.28 59.14 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.056 -175.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.413 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -163.04 158.65 31.02 Favored Glycine 0 N--CA 1.443 -0.86 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.721 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.513 HG11 ' HB3' ' A' ' 61' ' ' SER . 24.9 t -67.51 -28.2 41.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.22 0.534 . . . . 0.0 109.898 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.51 ' HA ' HD11 ' A' ' 62' ' ' LEU . 53.6 t80 -59.98 -40.2 88.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.415 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -65.97 -39.21 90.2 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.527 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.563 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -65.36 -48.91 71.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.803 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.481 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 67.1 t80 -58.87 -41.15 86.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.552 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -61.54 -55.26 32.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.554 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -52.51 -49.64 64.4 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.525 -0.762 . . . . 0.0 112.199 -176.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 65.6 mt -57.5 -25.97 60.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.212 -174.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -82.85 -57.84 3.14 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -175.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -76.26 -36.83 58.27 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.539 -0.465 . . . . 0.0 112.095 -174.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.445 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 19.7 tt0 -147.14 76.07 1.4 Allowed 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.498 -0.881 . . . . 0.0 112.228 -176.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -98.01 98.18 5.2 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 165.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.445 ' HD3' ' O ' ' A' ' 42' ' ' GLU . 21.1 Cg_exo -66.58 -16.89 52.18 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.034 2.489 . . . . 0.0 113.459 -173.036 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.76 174.63 7.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.984 0.421 . . . . 0.0 111.183 -178.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.3 mtm180 -129.7 -173.86 3.14 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.899 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 133.9 -18.38 4.28 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.888 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 69.39 -76.44 0.06 Allowed 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.192 0.597 . . . . 0.0 111.068 175.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.433 ' HA ' ' HB3' ' A' ' 52' ' ' GLU . 20.9 mtm-85 -64.22 -28.97 70.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.804 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.91 93.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.1 0.476 . . . . 0.0 110.409 176.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -74.37 -37.87 63.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.399 177.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.433 ' HB3' ' HA ' ' A' ' 49' ' ' ARG . 31.7 tt0 -56.1 -57.71 11.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.143 175.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.527 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 29.6 tt0 -61.03 -41.25 96.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.889 -178.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.16 -48.88 75.44 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.356 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.81 -45.21 87.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.905 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -55.96 -47.28 77.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.124 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 60.8 mt -62.61 -50.93 69.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.212 -178.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.481 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 60.8 m -64.0 -35.85 82.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.975 -178.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -63.01 -51.66 65.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.673 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.45 -34.14 76.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.285 -178.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.924 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 23.2 t -63.27 -33.69 76.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.15 -178.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' A' ' 33' ' ' TYR . 62.8 mt -96.32 2.57 52.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.593 -176.604 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 86.8 mtp -130.22 -49.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -173.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -150.25 70.08 0.31 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 119.443 -1.36 . . . . 0.0 114.581 -166.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.8 t70 73.41 85.98 0.11 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 164.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.924 ' HB ' ' HA ' ' A' ' 61' ' ' SER . 24.2 t -138.76 126.31 27.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.631 165.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.43 137.29 52.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.345 177.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.99 -45.62 80.65 Favored Glycine 0 N--CA 1.452 -0.252 0 CA-C-N 115.961 -0.563 . . . . 0.0 113.152 -175.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 72' ' ' ARG . 32.0 tt0 -71.16 -33.95 70.51 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 122.632 -0.334 . . . . 0.0 110.807 -177.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 62.3 mt -67.0 -45.0 88.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.34 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.422 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . . . -53.18 -39.75 63.87 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.097 174.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.454 HH12 ' CG ' ' A' ' 88' ' ' ASP . 16.6 ttt180 -57.64 -55.15 38.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.072 177.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.0 m -61.22 -41.8 97.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.044 0.45 . . . . 0.0 110.861 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.494 ' HB1' HD13 ' A' ' 57' ' ' LEU . . . -66.0 -37.83 86.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.257 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -65.32 -37.64 87.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.467 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.3 t -66.34 -33.19 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.023 0.439 . . . . 0.0 110.279 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.56 -25.95 63.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 177.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.0 -44.27 15.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.619 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.7 p -77.35 -2.89 37.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.323 0.583 . . . . 0.0 110.667 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.621 ' HA ' HD11 ' A' ' 85' ' ' LEU . 45.2 ttt180 -56.66 -28.7 61.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.805 178.246 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -90.33 0.71 57.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.475 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.67 -18.01 34.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.56 0.219 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 71.9 5.05 5.24 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.547 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 82.6 m -123.36 76.95 1.44 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.34 0.591 . . . . 0.0 110.326 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.621 HD11 ' HA ' ' A' ' 80' ' ' ARG . 96.4 mt -106.58 127.77 53.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.857 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 93.2 mmm -128.45 154.15 46.37 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.771 -175.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -69.79 148.32 49.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.793 174.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.454 ' CG ' HH12 ' A' ' 72' ' ' ARG . 9.9 p-10 -86.75 -22.57 25.88 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.839 0.352 . . . . 0.0 110.299 -179.032 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -89.01 6.38 39.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.889 0.376 . . . . 0.0 110.395 176.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.34 -32.39 62.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.677 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -101.55 118.78 37.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.588 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -117.62 99.33 52.33 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.665 178.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -83.66 -179.45 4.18 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.879 2.386 . . . . 0.0 112.464 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -71.43 -52.85 16.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.114 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 43.1 p -128.18 172.35 11.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.75 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 60.7 mt -71.0 -36.05 61.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.131 0.491 . . . . 0.0 110.502 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.7 10.41 4.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.864 -178.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.2 p -123.62 140.42 53.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.783 -0.19 . . . . 0.0 110.713 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 147.44 -63.1 0.44 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.29 177.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.428 179.689 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptm . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.705 0.288 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -65.15 162.36 17.22 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.7 t -61.48 -32.78 54.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.368 0.604 . . . . 0.0 109.758 177.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -64.27 -28.82 69.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.142 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 p -96.82 14.5 25.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.883 0.373 . . . . 0.0 111.193 -178.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 68.0 mtt -95.77 5.44 51.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.322 0.582 . . . . 0.0 110.219 177.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.9 mt -118.44 179.04 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.247 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.7 mt -96.74 -11.26 25.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.479 0.657 . . . . 0.0 109.615 177.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.538 ' OD1' ' HB3' ' A' ' 33' ' ' TYR . 35.7 m-80 -136.64 137.69 40.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.068 177.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -55.1 -44.79 75.24 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.415 0.626 . . . . 0.0 110.199 175.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.559 HG21 ' O ' ' A' ' 61' ' ' SER . 62.1 t -124.72 110.36 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.828 176.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -78.31 120.82 23.62 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.114 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.437 ' H ' ' HA2' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -81.88 124.1 29.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.028 -177.497 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -83.39 -20.0 34.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.24 0.543 . . . . 0.0 110.515 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.623 ' HD2' ' HG2' ' A' ' 69' ' ' GLU . 30.2 mtpp -100.23 111.92 63.25 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.409 174.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.15 149.09 46.01 Favored 'Trans proline' 0 C--O 1.238 0.484 0 C-N-CA 122.778 2.319 . . . . 0.0 111.926 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.475 HG22 ' HG3' ' A' ' 72' ' ' ARG . 6.0 t -120.18 88.88 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.221 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 27' ' ' ARG . 25.8 m -78.51 94.3 4.93 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 173.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.778 HD11 ' CZ3' ' A' ' 43' ' ' TRP . 12.2 tt -101.23 118.0 47.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.584 -176.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.428 ' HB3' ' SD ' ' A' ' 86' ' ' MET . 9.5 p -98.06 123.0 41.88 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.751 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.3 mp -94.24 153.58 17.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 177.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -60.37 -19.79 57.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.227 0.536 . . . . 0.0 110.438 177.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -69.92 -18.49 63.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.244 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.81 65.52 1.04 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.918 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -165.59 107.24 0.75 Allowed Pre-proline 0 C--N 1.326 -0.417 0 CA-C-O 120.5 0.19 . . . . 0.0 110.991 -177.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.436 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 7.0 Cg_endo -89.93 105.85 0.36 Allowed 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 123.496 2.798 . . . . 0.0 112.107 174.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.439 ' O ' ' HA ' ' A' ' 18' ' ' THR . 24.6 mtp85 -93.16 160.51 14.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.741 177.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.448 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 60.1 mt -126.33 105.95 15.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.678 175.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -73.32 135.85 44.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.853 0.359 . . . . 0.0 110.707 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -90.75 -15.89 29.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.198 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.437 ' HA2' ' H ' ' A' ' 13' ' ' TRP . . . -163.63 171.93 39.41 Favored Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.212 -178.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.575 HG11 ' HB2' ' A' ' 61' ' ' SER . 28.5 t -67.37 -27.74 39.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.965 0.412 . . . . 0.0 110.806 -177.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.538 ' HB3' ' OD1' ' A' ' 9' ' ' ASN . 71.3 t80 -59.61 -44.52 93.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.753 -176.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.45 -49.27 78.46 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.687 176.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.501 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -60.05 -46.95 87.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.742 -175.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -59.57 -45.52 91.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.061 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -69.85 -43.22 72.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.814 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -58.51 -42.89 88.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.25 -177.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.513 ' HA ' ' HB2' ' A' ' 43' ' ' TRP . 95.3 mt -61.14 -34.54 75.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.289 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -76.8 -28.24 55.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.898 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -68.94 -70.15 0.29 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.818 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -162.15 80.44 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.872 0.844 . . . . 0.0 111.361 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.778 ' CZ3' HD11 ' A' ' 19' ' ' ILE . 42.2 t-105 -92.21 116.17 65.99 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.239 173.075 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.662 ' HD2' ' CE3' ' A' ' 43' ' ' TRP . 68.2 Cg_exo -39.93 -45.76 3.8 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 124.398 3.398 . . . . 0.0 114.746 -175.476 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.432 ' HB3' ' NE1' ' A' ' 43' ' ' TRP . . . -80.04 103.15 9.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.935 0.397 . . . . 0.0 110.323 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.6 ptt85 -122.16 153.91 38.13 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.765 -175.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.96 -64.97 0.55 Allowed Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 119.848 -1.168 . . . . 0.0 113.779 168.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.469 ' CG ' ' H ' ' A' ' 49' ' ' ARG . 5.0 t70 -103.64 -166.15 1.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.537 0.684 . . . . 0.0 112.052 -164.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.469 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 56.3 mtm180 -68.02 -15.42 63.59 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.111 -0.949 . . . . 0.0 111.806 -173.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.66 -44.48 86.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.007 0.432 . . . . 0.0 110.186 177.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -70.16 -40.77 74.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.573 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -63.85 -48.03 78.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.409 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -64.02 -36.12 82.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.408 -178.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.33 -43.1 92.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.904 0.383 . . . . 0.0 110.336 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.64 -48.53 74.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.621 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -58.41 -44.03 88.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.213 -178.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.44 -50.41 73.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.763 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 63.4 m -62.89 -38.88 92.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.763 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -62.43 -49.39 75.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.582 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.454 ' HB1' ' HB3' ' A' ' 65' ' ' ASP . . . -66.91 -33.25 75.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.012 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.575 ' HB2' HG11 ' A' ' 32' ' ' VAL . 52.5 m -65.3 -36.29 83.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.751 177.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 82.2 mt -68.08 -11.79 59.68 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.832 0.349 . . . . 0.0 111.165 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.4 mmm -106.03 8.94 32.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.322 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.37 21.87 76.12 Favored Glycine 0 C--N 1.332 0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.807 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.454 ' HB3' ' HB1' ' A' ' 60' ' ' ALA . 11.5 t70 -87.36 -48.57 7.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.109 0.48 . . . . 0.0 110.495 -177.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.403 ' HB ' ' OG ' ' A' ' 61' ' ' SER . 72.6 t -90.76 134.59 29.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.463 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.67 148.53 51.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.309 175.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.37 -45.28 89.24 Favored Glycine 0 CA--C 1.518 0.245 0 CA-C-N 115.971 -0.558 . . . . 0.0 113.589 -173.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.623 ' HG2' ' HD2' ' A' ' 15' ' ' LYS . 39.7 mt-10 -68.3 -41.63 80.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.887 0.343 . . . . 0.0 110.957 -177.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 65.3 mt -55.1 -50.2 65.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.893 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.57 91.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.896 -177.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.475 ' HG3' HG22 ' A' ' 17' ' ' VAL . 1.4 ttp180 -71.84 -36.27 70.13 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.585 -172.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.0 m -69.02 -43.64 74.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.869 0.366 . . . . 0.0 110.419 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.28 -29.29 68.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.087 0.47 . . . . 0.0 110.554 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.407 ' CE1' HD12 ' A' ' 19' ' ' ILE . 50.9 t80 -59.71 -45.79 91.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.037 175.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 64.8 t -64.69 -33.08 60.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.546 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.75 98.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.683 176.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.69 -24.74 61.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.145 0.498 . . . . 0.0 110.773 177.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.701 ' HA ' ' HZ2' ' A' ' 43' ' ' TRP . 38.9 m -70.06 -17.83 63.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.02 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.695 ' HG2' HD11 ' A' ' 85' ' ' LEU . 98.3 mtt180 -67.43 -23.06 65.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.357 -176.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -72.56 -24.6 61.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.927 0.394 . . . . 0.0 110.603 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.71 -14.31 58.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.048 0.451 . . . . 0.0 109.944 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 61.56 26.4 16.12 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.323 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 51.3 m -127.16 79.7 1.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.021 177.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.695 HD11 ' HG2' ' A' ' 80' ' ' ARG . 96.3 mt -100.08 135.58 41.29 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.865 -175.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.428 ' SD ' ' HB3' ' A' ' 20' ' ' SER . 80.1 mtp -136.07 105.44 6.05 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.281 170.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -63.95 131.52 47.91 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -68.47 158.53 33.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.474 0.654 . . . . 0.0 111.983 -167.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.408 ' H ' ' HG2' ' A' ' 89' ' ' LYS . 12.3 pttm -88.54 -8.03 55.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.768 -174.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.04 11.0 26.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.195 0.522 . . . . 0.0 110.372 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -123.58 142.5 50.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.29 177.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 61.53 89.53 0.1 Allowed Pre-proline 0 C--O 1.233 0.21 0 O-C-N 123.642 0.589 . . . . 0.0 110.448 -174.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -56.59 -25.23 58.09 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.613 2.875 . . . . 0.0 113.992 -172.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -83.33 -3.61 57.66 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -176.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 84.9 m -70.95 -48.74 51.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.043 0.449 . . . . 0.0 110.544 177.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 27.4 pt -91.99 142.6 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.221 0.534 . . . . 0.0 111.395 -176.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.17 139.24 38.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.326 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.5 m -138.75 109.96 6.88 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.247 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 74.82 -132.01 13.38 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.822 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.2 p . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.793 -0.622 . . . . 0.0 110.333 179.311 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.1 mtp . . . . . 0 N--CA 1.483 1.214 0 CA-C-O 120.655 0.264 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -86.73 -56.98 3.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.057 -177.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.3 t -72.02 -58.29 5.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.435 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -83.29 117.38 22.94 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.903 178.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m -69.5 145.26 52.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.475 -174.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 57.8 ttp -101.43 103.11 14.01 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.635 174.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.6 mt -88.15 157.02 18.95 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.575 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.1 tp -123.77 157.36 34.19 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.753 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -87.02 64.35 8.42 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 178.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -70.44 109.46 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.788 0.804 . . . . 0.0 109.943 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.6 t -96.39 139.94 18.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.293 -174.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.0 mtmt -90.8 18.55 6.38 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.097 -176.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.405 ' CZ3' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER 63.83 -172.97 0.17 Allowed 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.231 -179.862 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.699 ' HB2' ' HD2' ' A' ' 15' ' ' LYS . 35.2 mt-10 -110.14 -61.9 1.59 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 171.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.699 ' HD2' ' HB2' ' A' ' 14' ' ' GLU . 5.3 mptt -108.64 122.28 40.7 Favored Pre-proline 0 N--CA 1.448 -0.554 0 CA-C-N 114.4 -1.273 . . . . 0.0 109.11 177.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.32 154.49 46.54 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 123.229 2.619 . . . . 0.0 112.593 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.552 HG22 ' HG3' ' A' ' 72' ' ' ARG . 61.5 t -104.56 127.77 58.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.855 -178.199 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.3 m -105.56 101.62 11.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.587 175.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' A' ' 26' ' ' PRO . 12.6 tt -98.31 116.08 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.24 0.543 . . . . 0.0 110.415 -176.193 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.1 t -82.36 119.74 24.54 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.504 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.4 mt -89.3 -177.57 5.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.139 -177.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -59.55 -33.26 71.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.514 . . . . 0.0 112.157 -173.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -85.24 3.99 36.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.585 0.231 . . . . 0.0 111.102 -178.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.26 9.72 81.49 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.037 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.472 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -88.65 116.64 66.85 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 120.487 0.184 . . . . 0.0 110.598 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.51 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 17.7 Cg_endo -90.36 114.91 0.51 Allowed 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.238 2.625 . . . . 0.0 112.732 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -94.74 128.2 41.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.155 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 63.2 mt -101.47 122.31 53.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.481 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -93.68 139.12 31.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.42 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -86.18 -24.49 26.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.694 -177.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.76 -178.86 25.1 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 111.603 -0.599 . . . . 0.0 111.603 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.567 HG11 ' HB3' ' A' ' 61' ' ' SER . 15.7 t -72.98 -29.14 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.763 0.316 . . . . 0.0 110.997 -176.041 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -62.58 -46.39 88.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.83 -177.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -60.49 -35.56 76.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -67.75 -49.27 63.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.821 178.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.421 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 91.8 t80 -63.37 -38.45 91.18 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.45 178.375 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -64.9 -44.11 90.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.558 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -59.62 -41.67 90.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.751 178.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 95.2 mt -59.86 -31.1 69.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.247 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -87.24 -32.54 19.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.877 -177.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -94.44 -78.4 0.44 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.861 0.362 . . . . 0.0 111.958 -176.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -107.77 33.41 4.09 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.099 0.778 . . . . 0.0 113.099 -167.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.439 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 76.3 t-105 -64.32 108.4 1.9 Allowed Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 170.346 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 43' ' ' TRP . 68.8 Cg_endo -94.66 30.01 0.23 Allowed 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 123.494 2.796 . . . . 0.0 114.103 -167.46 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -150.14 -177.01 5.68 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -92.4 -138.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 174.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.92 -51.34 0.83 Allowed Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 -175.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.468 ' HB3' ' H ' ' A' ' 49' ' ' ARG . 1.5 t70 60.82 -88.7 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 114.039 -1.08 . . . . 0.0 111.424 171.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.468 ' H ' ' HB3' ' A' ' 48' ' ' ASP . 50.3 mmm-85 -64.58 -48.94 73.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.488 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.17 -28.85 68.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.174 0.512 . . . . 0.0 110.758 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.479 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 78.3 t60 -64.43 -40.84 96.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.093 178.337 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 48' ' ' ASP . 44.6 mt-10 -66.95 -39.71 87.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.841 178.202 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.508 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 80.2 mt-30 -61.41 -44.46 97.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.344 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.96 -39.93 87.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.916 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 51' ' ' HIS . 96.0 mt -61.24 -46.79 88.94 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 177.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -59.22 -43.89 92.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.516 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 73.2 mt -65.9 -48.66 70.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.318 -177.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.421 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 64.7 m -62.03 -40.63 96.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.733 0.301 . . . . 0.0 110.621 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -65.93 -40.98 91.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.25 -32.67 73.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.032 0.444 . . . . 0.0 110.771 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.567 ' HB3' HG11 ' A' ' 32' ' ' VAL . 22.8 t -69.4 -32.7 71.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.91 176.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.2 mt -73.48 -4.5 34.15 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-O 121.113 0.482 . . . . 0.0 110.849 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 82.3 mtp -100.73 -13.78 18.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.001 174.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.57 0.31 64.83 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.028 -0.606 . . . . 0.0 113.093 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -84.71 -13.84 50.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.012 0.434 . . . . 0.0 111.152 -177.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.498 HG13 ' HB ' ' A' ' 70' ' ' ILE . 86.8 t -113.74 111.39 35.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.856 176.517 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.65 89.7 6.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.236 -175.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.51 -91.01 0.01 OUTLIER Glycine 0 CA--C 1.522 0.47 0 O-C-N 124.068 0.855 . . . . 0.0 115.151 167.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -43.87 -44.7 7.13 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 123.995 0.918 . . . . 0.0 112.846 -174.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.498 ' HB ' HG13 ' A' ' 66' ' ' VAL . 60.5 mt -55.77 -45.57 79.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.997 0.427 . . . . 0.0 111.327 -177.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.04 -34.16 71.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.552 ' HG3' HG22 ' A' ' 17' ' ' VAL . 13.9 ttp180 -68.91 -49.52 57.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 110.727 -178.028 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.4 p -65.02 -41.19 95.54 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.208 -178.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.82 -35.12 76.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.363 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -63.43 -42.83 98.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.987 0.422 . . . . 0.0 110.523 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 66.9 t -65.06 -35.07 74.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.296 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.77 -28.29 68.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.028 177.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.24 -36.39 58.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.967 0.413 . . . . 0.0 110.673 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.7 t -70.26 -10.4 58.81 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.32 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -59.11 -43.1 91.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.547 176.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -76.93 -9.37 58.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.22 -177.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.21 -3.92 57.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.11 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 65.39 27.24 11.92 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.778 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 35.7 t -154.98 99.42 2.11 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 121.545 0.688 . . . . 0.0 110.129 -176.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 97.4 mt -103.7 168.15 9.33 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.08 -0.963 . . . . 0.0 109.942 175.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 57.0 ttp -65.18 -24.87 67.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.312 0.577 . . . . 0.0 110.231 177.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -80.97 -16.45 53.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.867 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -91.33 112.42 24.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.679 -174.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -81.62 101.04 9.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.774 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.21 -26.57 60.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.023 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -112.5 151.14 30.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.673 178.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -136.74 93.4 13.93 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.818 176.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -71.24 137.07 30.47 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.481 2.121 . . . . 0.0 112.232 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -97.32 -1.41 44.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.143 0.497 . . . . 0.0 110.47 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.3 m -85.81 -10.86 54.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.91 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 11.9 tt -95.78 122.13 46.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.24 0.543 . . . . 0.0 111.181 -177.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.77 109.16 15.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.341 173.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.0 p -66.82 -45.7 77.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.769 -175.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 106.81 58.79 0.59 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.386 -175.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.247 0.922 0 CA-C-O 119.217 -0.42 . . . . 0.0 110.467 179.899 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.9 mtm . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -74.88 -36.09 62.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.079 0.466 . . . . 0.0 110.019 175.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.3 t -95.45 135.25 30.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.33 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -89.57 141.3 28.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.976 0.417 . . . . 0.0 110.865 -177.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 p -98.25 102.87 14.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.909 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 86.9 mtp -106.15 158.52 16.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.222 178.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.0 mt -117.79 152.44 35.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.545 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.597 HD22 ' HA ' ' A' ' 63' ' ' MET . 69.9 mt -88.15 123.45 32.82 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 176.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -94.16 169.43 10.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 -173.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -72.9 97.9 2.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.313 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.706 HG22 HD23 ' A' ' 62' ' ' LEU . 12.0 m -85.45 111.48 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 CA-C-O 121.416 0.626 . . . . 0.0 109.681 177.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.428 ' H ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -82.97 152.28 25.52 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.668 -177.656 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.13 140.96 34.72 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.778 0.323 . . . . 0.0 110.622 -179.282 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -68.87 -32.13 71.57 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 174.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -133.21 108.88 12.52 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.261 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -50.69 148.92 14.84 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 123.514 2.809 . . . . 0.0 112.901 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.543 HG22 ' HG3' ' A' ' 72' ' ' ARG . 39.3 t -113.21 129.82 68.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.72 -177.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.762 HG22 HG12 ' A' ' 28' ' ' ILE . 2.0 p -99.57 97.58 8.55 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.942 0.401 . . . . 0.0 110.44 176.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.946 HD11 ' HZ3' ' A' ' 43' ' ' TRP . 6.3 tt -88.52 106.27 16.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.69 0.757 . . . . 0.0 109.931 -175.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.487 ' HB3' ' O ' ' A' ' 84' ' ' CYS . 8.5 t -78.5 111.05 14.14 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.857 -176.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.2 mt -87.54 154.88 20.27 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.66 176.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -61.03 -16.39 42.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.208 0.528 . . . . 0.0 110.874 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -64.05 -20.27 65.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.474 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.5 32.68 4.44 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.237 175.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -156.56 122.54 2.52 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 117.037 0.418 . . . . 0.0 111.214 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.687 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 2.0 Cg_endo -84.41 114.36 1.8 Allowed 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.954 2.436 . . . . 0.0 112.027 172.263 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -83.73 140.07 32.34 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.762 HG12 HG22 ' A' ' 18' ' ' THR . 21.8 mt -96.14 112.52 28.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.495 -177.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -82.96 143.94 30.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.858 0.361 . . . . 0.0 110.396 177.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -97.04 -29.83 13.41 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.312 0.577 . . . . 0.0 109.986 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.62 162.65 28.27 Favored Glycine 0 N--CA 1.44 -1.065 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.575 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.523 HG11 ' HB2' ' A' ' 61' ' ' SER . 7.0 t -68.18 -21.35 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.331 0.586 . . . . 0.0 110.099 -178.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -60.29 -43.99 95.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.293 178.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -66.78 -42.64 85.7 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.346 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.55 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -60.33 -50.82 72.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.907 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.541 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 77.2 t80 -54.33 -47.17 72.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.888 178.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -66.36 -45.66 79.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.307 -177.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -60.24 -39.76 87.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.672 0.273 . . . . 0.0 111.25 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.0 mt -61.74 -23.62 66.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.477 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -89.99 -26.85 20.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.935 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -73.84 -62.94 1.32 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.219 -176.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -160.19 79.0 0.67 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.408 0.623 . . . . 0.0 112.154 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.946 ' HZ3' HD11 ' A' ' 19' ' ' ILE . 60.7 t-105 -84.16 108.54 14.55 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.004 172.077 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -88.04 33.79 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.243 2.629 . . . . 0.0 113.776 -170.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.478 ' HB3' ' CE2' ' A' ' 43' ' ' TRP . . . -129.74 113.92 15.32 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.963 0.411 . . . . 0.0 110.534 178.327 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -77.65 130.59 37.03 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.304 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.95 -29.03 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.083 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 72.29 -74.46 0.09 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.977 0.511 . . . . 0.0 112.35 175.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -66.1 -44.25 84.92 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -170.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.64 -37.46 87.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.408 . . . . 0.0 110.528 177.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -68.57 -39.76 80.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.027 177.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -61.51 -44.33 97.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.917 177.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.499 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 8.0 tt0 -62.11 -46.17 90.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.374 177.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.89 -45.32 74.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.589 -178.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.1 mp -62.65 -44.78 95.4 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.762 0.315 . . . . 0.0 110.989 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.6 ttp85 -61.0 -46.38 91.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.704 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 73.2 mt -58.18 -49.37 77.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.844 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.541 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 79.1 m -65.87 -39.94 91.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.423 -176.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -68.31 -40.19 81.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.789 0.328 . . . . 0.0 110.273 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.65 -31.65 72.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.689 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.523 ' HB2' HG11 ' A' ' 32' ' ' VAL . 30.6 m -67.58 -38.15 83.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.181 175.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.706 HD23 HG22 ' A' ' 11' ' ' VAL . 95.0 mt -65.56 -28.63 69.29 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.232 0.539 . . . . 0.0 110.021 176.166 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.597 ' HA ' HD22 ' A' ' 8' ' ' LEU . 88.1 mtp -81.73 1.03 36.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.668 177.512 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.94 13.85 80.58 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.645 178.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -85.89 -43.75 12.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.105 0.479 . . . . 0.0 110.436 -175.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.463 HG13 ' HB ' ' A' ' 70' ' ' ILE . 61.8 t -100.53 115.66 42.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.06 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.23 89.65 8.01 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -175.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 63.88 -92.56 0.11 Allowed Glycine 0 CA--C 1.522 0.485 0 N-CA-C 115.259 0.864 . . . . 0.0 115.259 166.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -67.46 -28.9 68.26 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 113.097 0.776 . . . . 0.0 113.097 -167.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.463 ' HB ' HG13 ' A' ' 66' ' ' VAL . 59.0 mt -57.98 -48.95 82.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.289 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.403 ' HB2' HG11 ' A' ' 66' ' ' VAL . . . -68.95 -37.02 78.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.423 177.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.543 ' HG3' HG22 ' A' ' 17' ' ' VAL . 31.1 ttt-85 -57.29 -54.16 49.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.898 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.8 m -63.48 -39.85 95.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.252 -177.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.44 -33.62 73.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.025 179.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -66.88 -37.58 84.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.217 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 72' ' ' ARG . 90.4 t -63.02 -41.12 91.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.334 177.134 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.07 -36.87 85.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.88 72.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.393 176.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.5 m -66.05 -21.25 66.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.735 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.825 ' HG3' HD21 ' A' ' 85' ' ' LEU . 50.9 ttt180 -67.9 -22.44 65.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.84 0.352 . . . . 0.0 110.45 178.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -71.79 -25.71 62.12 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.13 -8.21 57.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.169 175.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 66.52 20.35 10.85 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.112 177.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.487 ' O ' ' HB3' ' A' ' 20' ' ' SER . 56.1 m -135.82 86.19 2.22 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.825 HD21 ' HG3' ' A' ' 80' ' ' ARG . 3.7 mm? -78.24 166.79 22.3 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.645 179.078 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.627 ' HG2' ' O ' ' A' ' 18' ' ' THR . 65.3 mtm -47.7 133.97 13.18 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.804 174.067 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -67.61 -50.6 57.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.28 -178.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 54.64 32.98 18.27 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.286 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.456 ' NZ ' ' HB2' ' A' ' 89' ' ' LYS . 10.3 mtmp? 67.87 101.1 0.05 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.063 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -143.05 144.71 32.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.937 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -86.72 134.01 33.62 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.973 0.416 . . . . 0.0 110.812 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -137.76 108.68 8.46 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.44 4.55 3.84 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.811 2.341 . . . . 0.0 111.912 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -88.61 -27.77 21.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.017 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.7 m -76.99 -40.33 47.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.791 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 59.4 mt -112.99 118.7 58.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.211 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.34 131.61 51.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.819 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.5 m -128.07 101.4 6.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.679 -177.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -86.12 97.97 2.26 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.906 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.447 -0.787 . . . . 0.0 110.124 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 120.502 0.192 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -89.92 -50.97 5.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.954 0.406 . . . . 0.0 110.276 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 55.4 t -84.18 124.57 39.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.32 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -91.95 154.22 18.96 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.369 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.9 m -81.78 150.06 28.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.662 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 55.1 ttp -67.35 -35.0 78.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.254 178.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 98.7 mt -80.72 110.43 16.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.223 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.6 mt -95.9 135.99 36.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.288 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.435 ' O ' HG23 ' A' ' 11' ' ' VAL . 5.0 p30 -93.66 45.34 1.15 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.976 0.417 . . . . 0.0 110.934 178.355 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -67.52 92.02 0.3 Allowed 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 172.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 9' ' ' ASN . 22.1 t -90.21 105.79 16.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -178.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -64.59 144.33 57.29 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.006 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -86.8 117.43 25.54 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 172.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -60.35 -33.78 72.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.208 -175.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.9 tttm -125.28 100.22 32.84 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 168.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -46.85 140.58 12.84 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.817 3.011 . . . . 0.0 113.607 -174.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.0 t -101.0 126.28 54.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.665 -178.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.52 ' O ' ' HB2' ' A' ' 86' ' ' MET . 11.9 m -103.66 117.4 34.3 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.732 177.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.664 HD11 ' HZ3' ' A' ' 43' ' ' TRP . 13.3 tt -107.93 149.35 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -177.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.513 ' HB2' ' HG2' ' A' ' 86' ' ' MET . 22.9 t -103.89 104.57 14.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.829 0.347 . . . . 0.0 110.356 -177.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.4 mp -71.2 167.42 19.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.588 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -64.22 -17.9 64.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.407 0.622 . . . . 0.0 109.885 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -64.35 -21.89 66.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.422 176.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.4 33.88 21.51 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -172.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.458 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -129.87 135.45 27.52 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.405 -0.398 . . . . 0.0 110.813 -176.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 2.5 Cg_endo -85.3 118.6 1.96 Allowed 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.291 2.66 . . . . 0.0 111.773 176.418 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -106.33 126.29 52.05 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 51.6 mt -97.0 117.57 41.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.929 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -91.35 123.85 35.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.823 176.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -91.51 -21.22 21.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.236 0.541 . . . . 0.0 109.766 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -136.96 155.74 22.89 Favored Glycine 0 N--CA 1.443 -0.839 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.369 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.582 HG11 ' HB2' ' A' ' 61' ' ' SER . 46.8 t -62.72 -31.61 52.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.78 0.324 . . . . 0.0 110.913 -178.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -60.93 -42.8 98.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.193 -178.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.23 -42.15 90.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.066 0.46 . . . . 0.0 110.669 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.598 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -72.56 -43.96 62.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.096 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -59.8 -35.06 73.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.965 -178.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -69.19 -46.25 67.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.971 0.415 . . . . 0.0 109.961 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -59.44 -41.94 90.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.503 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 84.6 mt -65.94 -18.4 65.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.072 -176.398 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -100.84 -0.64 36.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.155 0.502 . . . . 0.0 110.303 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -109.22 -61.65 1.6 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.195 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -140.22 60.69 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.006 -171.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.664 ' HZ3' HD11 ' A' ' 19' ' ' ILE . 75.0 t-105 -81.58 104.08 2.7 Favored Pre-proline 0 C--N 1.329 -0.326 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 168.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -66.57 -38.26 19.6 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 123.216 2.61 . . . . 0.0 114.446 -165.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.648 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . . . -95.2 148.56 22.26 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.05 0.453 . . . . 0.0 111.308 -174.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 46' ' ' ARG . 48.3 mtm180 -81.34 -168.5 1.87 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.731 177.141 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.429 ' HA3' ' HB3' ' A' ' 50' ' ' ALA . . . 142.32 -18.45 2.48 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.833 -178.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.8 t0 63.63 -81.38 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.031 0.532 . . . . 0.0 111.322 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 68.0 mtp85 -74.07 -20.76 60.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.619 0.247 . . . . 0.0 110.453 178.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.429 ' HB3' ' HA3' ' A' ' 47' ' ' GLY . . . -66.77 -40.71 88.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.217 0.532 . . . . 0.0 109.586 172.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -70.1 -43.56 70.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.218 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -61.5 -43.9 98.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.204 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.45 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 50.5 tt0 -60.57 -40.34 91.3 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.643 0.259 . . . . 0.0 110.826 -178.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.494 ' HB1' HD13 ' A' ' 39' ' ' LEU . . . -57.85 -48.05 80.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.821 178.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.3 mp -70.37 -37.25 74.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.56 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.9 tpp85 -53.21 -52.22 59.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.921 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 64.5 mt -65.57 -48.7 71.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.4 -176.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 63.2 m -64.83 -34.76 79.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.325 -177.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -62.97 -42.28 99.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.886 0.374 . . . . 0.0 110.469 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.87 -26.49 57.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.132 0.491 . . . . 0.0 111.053 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.582 ' HB2' HG11 ' A' ' 32' ' ' VAL . 44.9 m -74.2 -34.34 63.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.4 mt -70.33 -12.72 61.78 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.794 0.331 . . . . 0.0 111.006 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 66.6 mtt -82.05 -14.89 55.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.002 175.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.25 5.77 79.34 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.247 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -82.57 -39.54 22.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.792 0.33 . . . . 0.0 110.853 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.9 t -90.17 124.34 42.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 177.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.09 98.64 10.21 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -172.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.95 -100.72 0.05 OUTLIER Glycine 0 CA--C 1.52 0.348 0 N-CA-C 115.118 0.807 . . . . 0.0 115.118 167.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.41 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 46.5 mt-10 -62.34 -28.11 69.52 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 -172.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 66.0 mt -59.15 -44.65 92.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.18 0.514 . . . . 0.0 109.659 175.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.59 -36.59 76.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.641 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.57 ' O ' HG23 ' A' ' 76' ' ' VAL . 10.1 ttt180 -59.59 -58.12 9.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.936 -179.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.4 m -62.93 -36.78 84.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.384 -176.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.89 -41.87 86.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.624 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -63.12 -38.62 91.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.184 177.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.6 HG13 HD22 ' A' ' 85' ' ' LEU . 92.6 t -60.7 -37.72 76.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.59 177.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.08 89.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.95 0.405 . . . . 0.0 110.935 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.07 -47.91 40.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.973 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.428 ' HB2' ' O ' ' A' ' 84' ' ' CYS . 6.2 p -67.78 -23.6 65.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.764 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -59.58 -45.68 91.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.496 174.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -62.5 -35.01 78.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.538 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.648 ' HB1' ' HB3' ' A' ' 45' ' ' ALA . . . -88.57 -3.64 58.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.351 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 60.23 56.6 3.21 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.371 0.605 . . . . 0.0 111.348 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 79' ' ' SER . 51.0 t -136.73 80.74 1.84 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.216 176.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.6 HD22 HG13 ' A' ' 76' ' ' VAL . 95.1 mt -130.47 136.03 48.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.843 -173.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.52 ' HB2' ' O ' ' A' ' 18' ' ' THR . 86.9 mmm -114.36 109.45 18.36 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 169.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -75.85 143.19 41.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.968 -175.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.93 147.15 53.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.75 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.514 ' O ' ' HB3' ' A' ' 93' ' ' PRO . 88.9 mttt -77.84 11.57 2.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.248 0.547 . . . . 0.0 111.213 -176.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -84.07 -13.34 53.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.893 173.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -99.43 104.41 16.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.84 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 50.84 70.52 1.96 Allowed Pre-proline 0 N--CA 1.466 0.335 0 O-C-N 123.746 0.654 . . . . 0.0 111.981 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.514 ' HB3' ' O ' ' A' ' 89' ' ' LYS . 66.4 Cg_endo -87.78 -175.12 1.36 Allowed 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.796 2.331 . . . . 0.0 112.591 -177.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -117.66 123.56 46.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.458 175.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 26.3 m -64.93 -44.16 90.42 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.112 0.482 . . . . 0.0 110.083 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.622 HG12 ' H ' ' A' ' 98' ' ' SER . 8.5 tt -91.88 128.1 43.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.968 177.301 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.91 -21.06 65.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.018 0.437 . . . . 0.0 111.348 -177.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.622 ' H ' HG12 ' A' ' 96' ' ' ILE . 6.9 m -95.46 14.98 20.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.159 178.128 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -74.88 102.96 1.48 Allowed Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.568 -178.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 C--O 1.249 1.04 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.731 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.6 mtt . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -105.28 136.75 44.23 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 176.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.416 HG11 ' O ' ' A' ' 8' ' ' LEU . 17.9 t -104.12 133.37 48.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.924 0.392 . . . . 0.0 111.465 -172.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -72.35 -62.57 1.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.953 177.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.8 m -103.38 112.73 25.75 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 175.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 85.9 mtp -71.47 3.08 4.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.207 -171.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.88 -28.89 69.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.202 0.525 . . . . 0.0 109.715 170.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.416 ' O ' HG11 ' A' ' 3' ' ' VAL . 64.3 tp -97.52 131.35 44.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.08 175.008 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -89.96 135.78 33.44 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.51 -0.476 . . . . 0.0 109.83 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -51.27 -55.13 19.86 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.323 0.582 . . . . 0.0 110.923 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.658 HG13 ' HB ' ' A' ' 32' ' ' VAL . 2.7 p -130.32 93.89 2.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.047 172.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.568 ' HE2' ' HB3' ' A' ' 30' ' ' ASN . 41.3 tttm -75.96 141.72 42.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.128 -174.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.415 ' H ' ' HA2' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -77.39 136.01 38.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.412 -173.631 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.452 ' HG2' ' HA3' ' A' ' 68' ' ' GLY . 10.2 pt-20 -64.34 -39.7 94.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.485 173.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 54.8 mttp -128.34 100.66 22.61 Favored Pre-proline 0 N--CA 1.447 -0.605 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.088 178.461 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -47.64 154.87 1.64 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.937 3.091 . . . . 0.0 113.716 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.562 HG22 ' HG3' ' A' ' 72' ' ' ARG . 53.1 t -126.86 127.89 70.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.243 -172.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.437 HG23 HG12 ' A' ' 28' ' ' ILE . 13.1 m -108.35 126.31 52.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.146 177.042 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.7 tt -119.0 144.41 27.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.496 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.0 t -104.61 134.82 47.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.771 0.32 . . . . 0.0 110.684 176.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.2 mp -84.54 176.66 8.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.198 172.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -59.46 -29.79 68.06 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -174.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -93.64 1.23 56.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.157 0.503 . . . . 0.0 110.372 -174.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.23 71.9 1.3 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.153 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.35 110.06 8.93 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -74.84 109.24 2.88 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.944 2.429 . . . . 0.0 112.794 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 -100.45 120.67 40.34 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.59 172.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.437 HG12 HG23 ' A' ' 18' ' ' THR . 53.7 mt -106.94 124.69 62.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -177.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -102.49 136.47 42.25 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.932 -178.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.568 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . 28.5 m-80 -84.18 -19.47 34.02 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.392 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.415 ' HA2' ' H ' ' A' ' 13' ' ' TRP . . . -158.02 177.69 34.64 Favored Glycine 0 N--CA 1.439 -1.12 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.219 -178.306 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.658 ' HB ' HG13 ' A' ' 11' ' ' VAL . 47.8 t -62.91 -39.81 86.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 C-N-CA 123.075 0.55 . . . . 0.0 111.077 -176.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -60.26 -41.04 92.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.97 -172.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -64.07 -36.64 84.68 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.48 178.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.6 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -64.88 -43.25 93.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.459 176.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.458 ' HA ' HD12 ' A' ' 39' ' ' LEU . 85.1 t80 -62.95 -43.06 99.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.09 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -66.21 -40.97 90.73 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.417 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -60.21 -45.27 93.75 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.413 175.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 95.0 mt -54.32 -31.6 54.62 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.732 178.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -87.52 -33.0 19.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.196 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -87.32 -90.38 0.12 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.064 -173.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -98.86 24.66 7.41 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -169.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.541 ' HB2' ' HA ' ' A' ' 39' ' ' LEU . 70.4 t-105 -75.24 108.9 6.32 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 174.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -93.39 -0.0 3.43 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.096 2.531 . . . . 0.0 113.652 -173.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 82' ' ' ALA . . . -82.78 105.97 14.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.254 0.55 . . . . 0.0 111.245 -176.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 46' ' ' ARG . 42.4 mtm-85 -80.34 152.56 28.88 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.246 178.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 157.32 -26.53 0.48 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.639 -177.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 t70 73.48 -71.69 0.13 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.674 0.789 . . . . 0.0 111.897 174.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.419 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 78.8 mtm180 -61.64 -50.83 70.94 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 121.281 -0.168 . . . . 0.0 111.264 -178.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.24 -32.58 68.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.284 0.564 . . . . 0.0 110.506 176.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -68.54 -46.53 69.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.354 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -62.88 -37.15 85.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.279 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.525 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 90.2 mt-30 -57.71 -45.28 85.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.741 0.305 . . . . 0.0 110.523 178.464 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.32 92.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.469 HD12 HD13 ' A' ' 39' ' ' LEU . 10.9 mp -67.26 -41.31 85.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.805 178.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.0 tpt85 -58.95 -42.05 88.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.818 178.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 44.8 mt -64.64 -43.79 92.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.529 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.492 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 84.1 m -68.25 -42.58 79.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.825 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.49 ' O ' ' HG3' ' A' ' 63' ' ' MET . 41.8 ttm180 -62.55 -38.1 88.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.665 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.86 -36.41 83.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.193 0.521 . . . . 0.0 110.609 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.568 ' HB2' HG11 ' A' ' 32' ' ' VAL . 20.1 m -71.9 -35.02 69.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.36 178.265 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 95.1 mt -67.39 -26.53 66.49 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.355 177.131 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.49 ' HG3' ' O ' ' A' ' 59' ' ' ARG . 89.7 mtp -69.48 -26.43 64.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.245 0.545 . . . . 0.0 109.697 173.218 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.49 6.54 57.42 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.439 -0.8 . . . . 0.0 113.318 175.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -106.38 24.92 11.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.501 0.65 . . . . 0.0 110.813 -175.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.454 ' HB ' ' HA ' ' A' ' 61' ' ' SER . 78.6 t -132.59 133.83 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.44 177.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.01 148.88 35.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.849 173.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.452 ' HA3' ' HG2' ' A' ' 14' ' ' GLU . . . -56.73 -49.85 67.5 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 116.114 -0.493 . . . . 0.0 113.736 -172.362 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -65.77 -25.9 67.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.019 0.41 . . . . 0.0 111.913 -175.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.4 mt -62.2 -52.44 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 176.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.23 -37.09 84.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.125 175.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.562 ' HG3' HG22 ' A' ' 17' ' ' VAL . 38.5 ttp85 -60.03 -48.82 80.15 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.78 0.324 . . . . 0.0 111.03 -179.205 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.6 m -62.1 -44.84 95.77 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.839 -177.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.74 -27.43 64.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.509 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -69.62 -34.03 73.48 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.982 0.42 . . . . 0.0 110.083 178.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.8 t -67.85 -35.67 73.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.285 0.564 . . . . 0.0 109.802 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.44 90.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.747 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.74 -42.11 82.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.236 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.8 p -71.96 -16.65 62.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.929 0.395 . . . . 0.0 111.156 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 80' ' ' ARG . 41.4 ttt-85 -67.71 -33.08 74.17 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.215 175.302 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? -64.29 -36.84 85.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.321 0.582 . . . . 0.0 109.752 177.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . . . -77.98 -8.27 57.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.676 176.509 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 61.34 23.71 13.91 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.727 -177.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 67.7 m -117.78 75.43 0.99 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.374 0.607 . . . . 0.0 110.248 -177.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 97.1 mt -94.54 148.47 22.22 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.458 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 12.5 tpt -84.32 -4.2 58.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.433 0.635 . . . . 0.0 109.661 177.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -85.3 146.53 27.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.294 175.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -99.92 129.0 45.95 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.994 0.426 . . . . 0.0 110.653 -179.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -147.93 97.01 2.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.74 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.36 49.02 0.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.152 0.501 . . . . 0.0 111.285 -177.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -129.96 26.44 5.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.435 -177.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.452 ' C ' ' H ' ' A' ' 94' ' ' ASN . . . -77.66 144.69 69.72 Favored Pre-proline 0 C--N 1.319 -0.752 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.404 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 92' ' ' ALA . 16.9 Cg_exo -68.54 29.83 0.15 Allowed 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 123.672 2.914 . . . . 0.0 113.204 179.449 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASN . . . . . 0.452 ' H ' ' C ' ' A' ' 92' ' ' ALA . 85.0 m-20 -91.41 -25.35 19.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.899 178.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 57.3 p -130.73 178.23 6.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.522 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.8 pt -90.42 6.48 4.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.924 0.392 . . . . 0.0 110.678 177.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.18 -38.32 90.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.266 -176.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.0 p -76.72 106.4 8.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.186 0.517 . . . . 0.0 110.691 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 123.66 26.25 1.62 Allowed Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.798 -177.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.735 -0.65 . . . . 0.0 109.985 179.456 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.483 1.18 0 N-CA-C 110.259 -0.275 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -59.6 -46.01 90.22 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 172.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.9 m -123.23 176.36 5.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.422 173.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -111.04 146.97 35.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.267 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 p -67.98 -33.08 73.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.374 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 89.6 mtp 62.92 32.32 15.75 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.163 0.506 . . . . 0.0 111.146 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.5 tp -82.1 -3.17 54.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.291 0.567 . . . . 0.0 110.457 -177.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.6 mt -78.32 -16.27 57.89 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.293 -178.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 60.17 37.0 20.97 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 -175.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -69.06 111.6 5.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.761 -171.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.616 HG23 ' HB ' ' A' ' 32' ' ' VAL . 1.3 m -84.87 110.52 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 168.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -75.05 129.56 37.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.415 -172.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.75 141.4 37.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.426 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -79.25 -64.35 1.21 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 175.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' A' ' 15' ' ' LYS . 21.1 mmtt -99.2 108.48 50.09 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.368 169.032 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.438 ' HB3' ' HA ' ' A' ' 30' ' ' ASN . 57.3 Cg_endo -70.29 166.66 27.53 Favored 'Trans proline' 0 CA--C 1.528 0.22 0 C-N-CA 123.433 2.755 . . . . 0.0 113.212 -176.105 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.478 HG22 ' HG3' ' A' ' 72' ' ' ARG . 46.0 t -104.39 132.86 50.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.594 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.8 m -102.67 110.25 22.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.879 0.371 . . . . 0.0 111.038 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.435 ' CG1' ' HE2' ' A' ' 29' ' ' PHE . 29.2 mm -111.48 114.34 46.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.24 177.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.5 p -90.49 123.4 34.15 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.66 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.2 mt -82.95 176.57 9.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.642 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -58.41 -28.96 65.72 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.058 0.456 . . . . 0.0 111.686 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -75.33 -2.46 28.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.337 -177.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.31 26.44 57.39 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.519 -176.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.422 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -105.88 110.58 64.24 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 120.715 0.293 . . . . 0.0 110.546 -178.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 4.8 Cg_exo -78.98 107.92 2.31 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 123.374 2.716 . . . . 0.0 112.183 178.012 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -88.03 122.42 31.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.68 174.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.1 mt -104.52 109.23 26.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.761 -178.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.573 ' HD1' ' HG2' ' A' ' 34' ' ' GLU . 35.5 m-85 -90.45 111.6 22.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.594 -175.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.438 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 34.1 m-80 -95.4 8.35 43.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.754 -177.149 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -147.08 141.38 9.33 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 176.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.616 ' HB ' HG23 ' A' ' 11' ' ' VAL . 57.3 t -61.91 -37.22 77.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 117.057 0.428 . . . . 0.0 110.93 -177.385 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -60.43 -36.7 78.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.857 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.573 ' HG2' ' HD1' ' A' ' 29' ' ' PHE . 85.2 tt0 -63.48 -40.73 97.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.931 0.396 . . . . 0.0 110.303 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.55 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -66.63 -44.64 81.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.353 176.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.444 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 92.9 t80 -58.32 -45.6 87.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.654 178.006 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -60.76 -47.37 86.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.404 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -56.98 -44.95 83.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.556 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.1 mt -60.61 -30.58 69.92 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.833 -177.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -96.9 -8.86 29.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.814 0.34 . . . . 0.0 111.569 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -93.14 -69.36 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.889 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -144.15 77.31 1.54 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.917 0.389 . . . . 0.0 111.63 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.422 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 61.9 t-105 -82.23 121.65 78.8 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 170.251 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 43' ' ' TRP . 17.2 Cg_exo -69.2 36.71 0.21 Allowed 'Trans proline' 0 N--CA 1.481 0.776 0 C-N-CA 123.479 2.786 . . . . 0.0 113.637 -178.397 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -169.36 172.96 6.86 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -75.77 -82.36 0.07 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 172.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.909 ' HA3' ' HB2' ' A' ' 51' ' ' HIS . . . 124.71 -49.17 0.92 Allowed Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.727 171.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.548 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 9.8 m-20 51.9 -120.66 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.905 0.415 . . . . 0.0 110.649 -177.352 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 49' ' ' ARG . 43.5 ttm180 -56.86 -45.18 82.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.673 0.273 . . . . 0.0 110.864 -178.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.38 84.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -176.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.909 ' HB2' ' HA3' ' A' ' 47' ' ' GLY . 57.9 t-80 -71.19 -44.81 64.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.268 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.622 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 11.0 mm-40 -68.95 -45.34 71.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.865 -177.011 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.483 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 92.6 mt-30 -56.37 -44.15 79.88 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-O 120.545 0.212 . . . . 0.0 110.757 176.272 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.3 -45.57 84.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.025 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.41 HD11 ' CE1' ' A' ' 51' ' ' HIS . 94.1 mt -61.72 -43.64 98.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.649 178.333 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.622 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 73.9 mtp180 -63.75 -39.71 94.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.855 -179.141 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 83.2 mt -65.21 -42.27 93.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.763 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.444 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 75.3 m -64.41 -38.95 92.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.507 177.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' A' ' 63' ' ' MET . 39.0 mtp85 -67.69 -38.51 83.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.98 179.007 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.48 -34.33 75.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.149 0.499 . . . . 0.0 110.562 176.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 19.8 m -68.53 -37.8 80.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.41 177.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 88.9 mt -73.09 -6.67 47.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.077 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.464 ' HG3' ' O ' ' A' ' 59' ' ' ARG . 66.7 mtt -98.86 -20.63 16.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.817 178.052 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.79 5.19 55.38 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.885 -175.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -78.25 -32.37 49.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.42 0.628 . . . . 0.0 109.466 177.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 61' ' ' SER . 48.5 t -125.58 131.77 71.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.306 175.464 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.54 -30.83 61.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.296 0.57 . . . . 0.0 110.481 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.415 ' H ' HG12 ' A' ' 66' ' ' VAL . . . 135.42 -24.92 3.33 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.802 177.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.429 ' HG3' ' H ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -64.37 -47.98 77.22 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.796 0.331 . . . . 0.0 111.15 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 71.7 mt -66.14 -40.6 87.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.003 0.43 . . . . 0.0 109.962 177.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.9 93.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.978 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.478 ' HG3' HG22 ' A' ' 17' ' ' VAL . 41.1 ttp180 -62.12 -49.39 76.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.985 0.421 . . . . 0.0 110.55 178.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.6 m -61.57 -41.95 98.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.812 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.85 -35.07 74.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.97 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -62.86 -43.96 97.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.342 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.451 ' O ' ' HG3' ' A' ' 80' ' ' ARG . 91.6 t -62.48 -39.91 86.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.074 177.039 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.73 -37.55 87.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.97 178.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.0 -35.32 64.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.898 0.38 . . . . 0.0 110.878 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 t -66.68 -20.85 66.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.086 0.469 . . . . 0.0 110.274 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.889 ' HG2' HD11 ' A' ' 85' ' ' LEU . 86.5 mtt180 -62.67 -36.26 82.3 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.064 174.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -73.13 -27.13 61.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.118 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.68 -6.32 58.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.896 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 65.29 42.52 3.91 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.811 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.7 t -147.87 92.6 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.158 0.504 . . . . 0.0 109.862 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.889 HD11 ' HG2' ' A' ' 80' ' ' ARG . 90.5 mt -113.89 126.34 55.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.784 178.268 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 85.8 mmm -127.09 133.53 50.42 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.255 172.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -94.4 164.54 12.97 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.775 -177.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -69.64 159.56 33.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.993 178.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -79.6 9.45 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -175.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.79 141.97 58.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.923 0.392 . . . . 0.0 110.422 174.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -85.7 19.32 2.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.414 0.626 . . . . 0.0 110.6 -178.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.95 86.62 0.93 Allowed Pre-proline 0 C--N 1.315 -0.892 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.559 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.96 -29.76 91.42 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 123.033 2.488 . . . . 0.0 112.46 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -78.81 99.5 6.74 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.5 p -91.07 171.5 9.21 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.216 -177.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 27.3 mm -83.76 62.28 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.563 0.697 . . . . 0.0 109.968 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -159.89 116.65 2.53 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.164 -0.926 . . . . 0.0 109.137 178.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.7 t -140.59 153.1 45.96 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.486 -175.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.83 173.12 44.91 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.995 -0.622 . . . . 0.0 112.051 -179.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 40.5 m . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.825 -0.607 . . . . 0.0 109.893 178.353 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.9 mtp . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 121.058 0.456 . . . . 0.0 110.736 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -96.74 -28.44 14.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.106 0.479 . . . . 0.0 110.087 -176.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.1 t -73.07 -44.02 57.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.529 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 63.34 82.0 0.19 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.493 -176.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 p -94.52 158.45 15.54 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.965 177.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 88.6 mtp -118.49 148.37 42.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.97 0.414 . . . . 0.0 111.198 -176.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 65.1 tp -110.93 111.11 22.02 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 175.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.481 ' HB3' HD13 ' A' ' 62' ' ' LEU . 3.2 mm? -95.6 129.24 42.85 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -176.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -77.3 132.09 38.45 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -74.32 93.27 2.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.332 0.586 . . . . 0.0 110.494 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.2 t -80.51 115.84 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 174.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.674 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 57.0 mttp -86.52 154.12 21.33 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.329 0.585 . . . . 0.0 112.083 -173.363 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.88 151.01 34.05 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.855 -175.328 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -89.42 -35.14 16.19 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 174.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' HE2' ' OE1' ' A' ' 69' ' ' GLU . 33.8 mttm -119.86 99.01 49.41 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.239 -0.891 . . . . 0.0 108.631 169.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.28 146.95 87.11 Favored 'Trans proline' 0 N--CA 1.474 0.34 0 C-N-CA 123.223 2.616 . . . . 0.0 113.233 -174.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.479 HG22 ' HG3' ' A' ' 72' ' ' ARG . 47.3 t -100.63 130.72 49.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.493 -178.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.408 ' HB ' ' SD ' ' A' ' 86' ' ' MET . 8.0 m -109.77 106.9 16.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.883 177.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.517 ' O ' ' HA ' ' A' ' 26' ' ' PRO . 8.1 tp -89.04 114.12 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -179.064 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.591 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 16.9 t -83.84 98.93 10.0 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.056 -177.059 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.1 mt -82.45 130.24 35.07 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 175.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -44.64 -55.23 5.4 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.842 0.714 . . . . 0.0 111.922 -174.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -116.16 1.18 13.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.559 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.8 -2.34 55.18 Favored Glycine 0 C--O 1.236 0.238 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.505 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.425 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . 74.72 150.64 0.13 Allowed Pre-proline 0 N--CA 1.468 0.436 0 C-N-CA 123.52 0.728 . . . . 0.0 112.098 176.313 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.591 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 27.4 Cg_exo -62.96 103.78 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.031 2.488 . . . . 0.0 111.477 173.031 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -99.85 137.96 37.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.605 -178.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.5 mt -96.1 123.31 48.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.929 -174.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -88.58 118.81 28.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.131 175.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -82.37 -38.86 23.56 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.527 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.674 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -125.82 155.11 18.96 Favored Glycine 0 N--CA 1.443 -0.881 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.542 -177.55 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.52 HG11 ' HB2' ' A' ' 61' ' ' SER . 45.1 t -66.44 -30.95 51.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.033 0.444 . . . . 0.0 109.901 178.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -67.84 -36.47 80.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.761 176.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -64.39 -37.64 88.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.447 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.489 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -69.38 -47.22 64.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.478 175.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -55.43 -42.47 74.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.538 177.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -59.8 -46.49 89.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.886 177.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -61.07 -40.62 94.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.995 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.0 mt -60.37 -37.96 82.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.578 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -85.41 -15.38 43.25 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -75.54 -64.33 1.09 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 174.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -174.84 92.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.172 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -73.98 136.26 76.62 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.679 171.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.439 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 23.9 Cg_endo -61.84 109.8 0.86 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.898 2.399 . . . . 0.0 112.887 177.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 44' ' ' PRO . . . 89.86 175.99 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.93 1.292 . . . . 0.0 111.251 177.142 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -134.34 -175.87 4.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.298 -174.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 164.82 -98.39 0.15 Allowed Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 175.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.468 ' CG ' ' H ' ' A' ' 49' ' ' ARG . 36.7 p-10 -172.44 -79.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.648 0.261 . . . . 0.0 111.151 177.173 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.468 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 3.9 mtt180 -76.87 -25.75 53.44 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.507 -170.148 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.4 -37.32 85.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.247 0.546 . . . . 0.0 110.106 175.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -79.14 -40.61 30.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.674 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.414 ' HB2' ' HA ' ' A' ' 49' ' ' ARG . 66.5 mm-40 -62.16 -53.5 54.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.973 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -64.87 -36.39 84.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.054 -177.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.13 -47.39 81.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.874 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.21 -42.55 88.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.81 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 66.2 mtt85 -61.98 -46.46 89.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.276 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.89 -39.3 90.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.924 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.584 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 75.0 m -63.97 -44.97 91.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.739 0.304 . . . . 0.0 110.365 176.479 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -58.45 -48.89 79.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.796 178.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.95 -36.82 77.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.113 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.52 ' HB2' HG11 ' A' ' 32' ' ' VAL . 22.6 m -66.55 -41.98 87.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.379 177.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 71.3 mt -71.4 -15.55 62.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.886 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 85.1 mtp -97.73 5.62 49.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.803 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.55 8.23 87.72 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.211 -0.519 . . . . 0.0 113.348 176.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -88.94 -21.02 23.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.944 0.402 . . . . 0.0 110.708 -177.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.1 t -124.76 136.73 59.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.519 175.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.68 -32.13 65.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.35 . . . . 0.0 111.483 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 137.27 -47.98 0.93 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.114 -1.041 . . . . 0.0 113.232 174.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.498 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 36.9 mt-10 -63.03 -29.75 71.06 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -175.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 72.1 mt -57.85 -45.38 87.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.129 0.49 . . . . 0.0 110.107 174.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.85 -30.48 65.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.524 178.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.498 ' HB3' ' HA ' ' A' ' 69' ' ' GLU . 11.9 ttt85 -60.79 -54.11 49.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 177.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.5 m -63.7 -35.0 79.11 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.109 0.481 . . . . 0.0 110.816 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.03 -30.97 65.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.194 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -62.32 -43.01 99.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.213 0.53 . . . . 0.0 109.63 178.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 82.9 t -63.39 -39.82 86.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.424 176.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.87 -39.76 94.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.937 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.85 -32.31 72.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.005 0.431 . . . . 0.0 110.733 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.0 m -69.23 -13.13 62.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.066 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -68.38 -34.47 76.09 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.187 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -65.58 -34.57 78.55 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.111 0.481 . . . . 0.0 110.371 178.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.52 -13.19 57.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.357 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 61.75 20.41 11.37 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.444 -177.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.2 t -103.43 60.79 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.314 0.578 . . . . 0.0 110.386 -173.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.0 mt -88.43 140.47 29.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.317 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.408 ' SD ' ' HB ' ' A' ' 18' ' ' THR . 56.7 ttp -66.4 -40.55 89.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.583 -178.169 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -66.62 130.41 43.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.001 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -60.12 -25.2 65.28 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.731 -171.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -51.35 -44.74 62.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.717 174.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 55.25 -98.16 0.08 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.653 -174.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -142.09 106.27 4.78 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.56 129.78 76.04 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.627 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.26 -7.08 20.33 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.672 2.248 . . . . 0.0 112.487 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -141.37 143.64 34.09 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.0 m -68.75 -61.47 1.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.912 0.387 . . . . 0.0 111.865 -175.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 13.5 tt -88.97 153.75 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.287 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.48 121.35 26.65 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.5 m -64.31 132.58 50.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.391 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 122.35 0.49 10.35 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -175.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.363 -0.827 . . . . 0.0 109.996 179.763 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.56 ' SD ' HD21 ' A' ' 8' ' ' LEU . 55.3 ttm . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 121.045 0.45 . . . . 0.0 110.025 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.567 ' HG2' HG13 ' A' ' 3' ' ' VAL . 43.4 tt0 -63.38 -55.25 25.92 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.252 -177.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.567 HG13 ' HG2' ' A' ' 2' ' ' GLU . 27.7 m -127.0 158.85 37.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.183 -179.315 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.464 ' HG2' ' SD ' ' A' ' 1' ' ' MET . 87.8 mt-30 -112.52 115.15 28.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.024 0.44 . . . . 0.0 110.562 -179.226 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 t -89.74 -179.45 5.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.259 -178.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 66.6 mtm -73.28 -7.93 53.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.862 0.363 . . . . 0.0 110.929 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 76.9 mt -73.96 -3.34 28.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.842 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.56 HD21 ' SD ' ' A' ' 1' ' ' MET . 8.9 mp -95.67 7.5 46.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.08 0.467 . . . . 0.0 110.505 176.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -90.0 142.04 28.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.842 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.06 107.26 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 174.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.0 t -82.5 111.43 18.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.587 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 87.2 tttt -67.24 136.27 54.7 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.127 -175.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.73 144.21 55.54 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.861 175.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -58.41 -44.16 88.94 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.474 ' HD2' ' HA ' ' A' ' 15' ' ' LYS . 7.7 tptm -131.56 108.75 14.57 Favored Pre-proline 0 N--CA 1.446 -0.639 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.723 171.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -49.51 151.7 6.94 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 124.232 3.288 . . . . 0.0 113.937 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.3 t -105.87 139.17 27.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.972 -176.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.8 m -101.1 117.83 35.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.667 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.1 mm -105.34 125.6 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.471 177.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.9 m -86.47 96.63 10.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.006 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.91 149.36 47.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.342 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -70.41 8.93 0.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.863 -178.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -109.06 9.66 26.26 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.42 50.03 8.67 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.0 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -140.94 114.58 7.09 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.708 0.29 . . . . 0.0 111.48 -177.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.88 94.36 1.06 Allowed 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 123.105 2.537 . . . . 0.0 111.627 175.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -90.11 116.63 28.27 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.018 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.4 mt -98.9 120.91 48.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.317 -177.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -95.91 120.7 36.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.253 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -80.08 -45.35 18.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.125 0.488 . . . . 0.0 109.861 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.587 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -111.7 160.4 13.23 Favored Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.915 -174.138 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.509 HG11 ' HB3' ' A' ' 61' ' ' SER . 61.8 t -67.44 -32.46 57.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.401 -0.4 . . . . 0.0 111.072 -178.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -73.13 -36.8 66.77 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.169 -177.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -57.25 -46.46 83.01 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.135 0.493 . . . . 0.0 110.127 177.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.531 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -67.18 -46.45 73.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.849 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.497 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 49.1 t80 -57.76 -43.14 85.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.96 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -66.61 -43.48 84.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.584 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.73 -43.4 94.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.317 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.3 mt -58.17 -29.33 65.52 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.461 -178.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -88.93 -34.36 16.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.286 -177.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -75.11 -73.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.127 -178.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -140.08 76.97 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.209 0.528 . . . . 0.0 112.036 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -86.74 123.09 71.23 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 168.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -34.75 -64.72 0.14 Allowed 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 124.352 3.368 . . . . 0.0 114.494 -174.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.29 110.03 8.1 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 74.2 mtt85 -51.17 -81.61 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.734 0.646 . . . . 0.0 112.074 -174.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.52 -98.25 0.56 Allowed Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 120.159 -1.02 . . . . 0.0 112.973 174.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -168.96 -143.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.348 -0.426 . . . . 0.0 109.954 -173.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -51.7 -33.35 33.92 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 122.981 0.512 . . . . 0.0 111.43 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.94 -35.9 77.95 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.829 0.347 . . . . 0.0 111.469 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -74.89 -38.29 61.91 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -66.21 -38.72 88.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.044 178.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.518 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 26.5 tt0 -56.39 -49.94 73.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.657 175.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.41 -38.2 76.89 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.002 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.83 -48.84 72.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.59 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 56' ' ' ARG . 52.7 mtm-85 -61.88 -41.83 98.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.315 -179.158 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 92.7 mt -56.52 -50.35 72.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.837 178.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.497 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 57.1 m -67.74 -41.73 82.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.629 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -61.48 -46.53 89.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.977 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.429 ' HB1' ' HB3' ' A' ' 65' ' ' ASP . . . -76.93 -23.75 52.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.41 -178.499 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.509 ' HB3' HG11 ' A' ' 32' ' ' VAL . 14.5 t -67.74 -38.09 83.03 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.272 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.9 mt -68.5 -27.04 65.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.228 0.537 . . . . 0.0 110.452 177.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 51.4 ttm -79.62 -9.36 59.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.398 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.65 10.16 73.63 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.21 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.429 ' HB3' ' HB1' ' A' ' 60' ' ' ALA . 36.5 t70 -85.16 -48.91 8.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.055 0.455 . . . . 0.0 110.212 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.43 HG12 ' H ' ' A' ' 68' ' ' GLY . 63.1 t -88.66 127.72 41.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.668 175.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.07 20.44 0.14 Allowed 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -175.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.43 ' H ' HG12 ' A' ' 66' ' ' VAL . . . 77.02 -55.23 3.52 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 121.175 -0.536 . . . . 0.0 113.582 175.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -56.23 -47.9 77.55 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.555 0.342 . . . . 0.0 111.372 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 62.3 mt -59.88 -38.4 76.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.854 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.409 ' HB2' HG11 ' A' ' 66' ' ' VAL . . . -65.21 -37.5 87.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.837 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.9 ttm105 -61.79 -50.3 72.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.816 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.9 m -59.95 -48.64 80.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.309 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.46 -25.07 61.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.36 -177.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -64.87 -49.75 69.31 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 175.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.457 ' O ' ' HG3' ' A' ' 80' ' ' ARG . 93.8 t -61.41 -43.59 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.155 177.293 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.41 -39.2 75.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.405 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.0 -39.61 63.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.108 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.6 p -69.0 -12.53 61.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.805 -178.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.586 ' HG2' HD11 ' A' ' 85' ' ' LEU . 82.7 mtt-85 -65.3 -33.04 75.04 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.778 0.323 . . . . 0.0 110.2 177.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -62.57 -40.35 96.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.766 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.27 -8.06 58.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 61.25 25.91 15.83 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.98 -177.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.8 t -89.13 26.0 1.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.78 0.8 . . . . 0.0 109.571 -178.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.586 HD11 ' HG2' ' A' ' 80' ' ' ARG . 88.4 mt -76.2 154.17 35.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.997 -174.287 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 7.2 tmm? -122.46 95.3 4.58 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 166.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -163.48 -62.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.149 0.499 . . . . 0.0 110.71 -170.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -97.5 140.41 31.97 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.08 176.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -74.82 -52.78 10.5 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.925 178.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 174.41 25.49 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.523 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -128.23 27.67 5.59 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.001 0.429 . . . . 0.0 111.433 -167.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.97 115.24 38.39 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.215 175.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.87 11.75 1.62 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.753 2.302 . . . . 0.0 112.694 -175.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -82.07 -43.95 17.21 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.138 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 36.7 p -121.18 114.15 21.0 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.496 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.512 HG22 ' H ' ' A' ' 98' ' ' SER . 56.3 mt -125.84 145.39 33.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.49 -178.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -53.01 -39.48 63.15 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.957 0.408 . . . . 0.0 110.712 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.512 ' H ' HG22 ' A' ' 96' ' ' ILE . 14.6 m -88.04 105.92 17.8 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 173.06 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -66.24 -44.31 91.14 Favored Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 116.107 -0.497 . . . . 0.0 113.821 -172.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.71 -0.662 . . . . 0.0 110.297 -177.002 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.1 mtp . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 120.643 0.259 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -60.64 114.45 3.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.486 -173.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.9 m -101.42 147.4 8.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 170.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -81.62 71.71 8.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.75 0.786 . . . . 0.0 110.611 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -152.79 103.41 2.77 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.014 176.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 59.2 mtm -81.55 151.62 27.64 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.806 -175.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.4 tp -81.21 -36.99 29.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.531 175.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.6 tp -99.1 116.08 30.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.637 177.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.429 ' O ' HD22 ' A' ' 62' ' ' LEU . 28.9 m-80 -129.92 121.95 27.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.501 -176.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -92.9 102.28 14.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.146 0.498 . . . . 0.0 109.888 175.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.401 ' O ' HG23 ' A' ' 32' ' ' VAL . 62.0 t -89.96 134.75 28.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -177.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.555 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 13.4 mptt -86.89 150.41 24.12 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.877 -178.036 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.06 158.51 21.41 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.575 178.574 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -80.91 -59.67 2.58 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 175.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.2 mmtm -93.71 129.2 39.0 Favored Pre-proline 0 N--CA 1.45 -0.461 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.728 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.16 143.3 99.54 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 123.198 2.598 . . . . 0.0 112.804 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.466 HG22 ' HG3' ' A' ' 72' ' ' ARG . 61.8 t -109.32 109.61 29.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.238 179.542 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.407 HG23 HG12 ' A' ' 28' ' ' ILE . 11.9 m -98.86 112.4 24.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.181 -177.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.1 mm -99.76 115.34 40.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.272 177.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.436 ' HB3' ' HG2' ' A' ' 86' ' ' MET . 5.4 p -89.37 94.76 10.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.135 0.493 . . . . 0.0 110.397 177.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.413 HD21 ' HZ ' ' A' ' 38' ' ' PHE . 94.0 mt -75.88 162.67 27.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.801 -178.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -75.57 8.44 2.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.092 -172.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -92.24 -5.34 52.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.656 173.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.61 46.59 7.23 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -174.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.97 112.28 10.42 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.681 0.277 . . . . 0.0 110.851 -177.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -82.11 94.08 0.91 Allowed 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.721 2.28 . . . . 0.0 111.526 174.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -89.04 114.9 26.16 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.142 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.407 HG12 HG23 ' A' ' 18' ' ' THR . 39.3 mt -96.54 116.69 39.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.273 -178.077 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -87.25 149.9 24.26 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.686 -178.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -115.59 -33.99 5.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.455 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.555 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -110.71 158.19 14.54 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.152 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.536 HG11 ' HB3' ' A' ' 61' ' ' SER . 44.9 t -79.35 -36.43 17.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.611 0.244 . . . . 0.0 111.074 -179.149 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -73.97 -37.37 64.51 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.827 -176.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.408 ' CD ' ' H ' ' A' ' 31' ' ' GLY . 8.4 pt-20 -63.85 -28.38 69.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.873 0.368 . . . . 0.0 110.396 176.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.532 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -75.84 -43.62 44.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.198 174.431 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.452 ' HA ' HD12 ' A' ' 39' ' ' LEU . 90.3 t80 -55.62 -46.17 77.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.762 175.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.53 -42.75 99.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.551 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.413 ' HZ ' HD21 ' A' ' 21' ' ' LEU . 70.3 t80 -57.9 -46.33 85.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.791 176.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 84.2 mt -57.35 -41.82 80.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.631 -178.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -67.6 -44.06 79.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.236 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -75.66 -44.45 42.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.887 -173.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -158.8 77.89 0.76 Allowed 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.004 -0.678 . . . . 0.0 112.335 -175.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.507 ' HB2' ' HA ' ' A' ' 39' ' ' LEU . 65.6 t-105 -108.73 119.94 47.65 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 168.088 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -45.63 -34.91 12.07 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.861 3.041 . . . . 0.0 113.982 -175.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.31 101.21 9.63 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 175.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 46' ' ' ARG . 52.3 mtt85 -99.3 83.02 2.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.597 -173.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.92 -23.41 6.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 119.674 -1.25 . . . . 0.0 114.406 170.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -69.24 163.49 24.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.97 0.414 . . . . 0.0 111.2 -173.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.489 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 0.9 OUTLIER -52.39 -36.28 53.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.879 175.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.03 -37.19 71.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.033 0.444 . . . . 0.0 110.547 177.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -71.52 -46.79 58.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.707 177.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -59.36 -47.08 86.76 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.809 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' ' 49' ' ' ARG . 89.9 mt-30 -60.37 -48.0 83.65 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.711 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.26 -50.03 62.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.387 -177.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.3 -49.08 73.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.531 -179.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -68.55 -37.65 80.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.184 -173.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.0 mt -69.71 -38.12 76.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.868 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.61 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 89.4 m -63.05 -41.73 99.55 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 175.382 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.443 ' O ' ' HG3' ' A' ' 63' ' ' MET . 39.8 ttm180 -62.38 -44.36 96.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.744 176.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.43 -28.05 69.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.065 0.459 . . . . 0.0 110.743 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.536 ' HB3' HG11 ' A' ' 32' ' ' VAL . 14.0 t -72.58 -42.01 65.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.826 175.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 60.1 mt -62.18 -38.58 89.6 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.493 177.301 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.443 ' HG3' ' O ' ' A' ' 59' ' ' ARG . 93.2 mtp -69.66 -19.53 63.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.898 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.25 23.16 10.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.972 -0.633 . . . . 0.0 113.286 175.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -104.37 -40.02 6.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.427 -0.455 . . . . 0.0 111.128 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.4 t -94.35 115.31 32.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 176.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.51 91.55 4.96 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -174.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.18 -87.83 0.03 OUTLIER Glycine 0 CA--C 1.522 0.49 0 N-CA-C 115.043 0.777 . . . . 0.0 115.043 168.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -52.27 -43.91 64.67 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.553 0.741 . . . . 0.0 112.352 -171.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.447 ' H ' HD12 ' A' ' 70' ' ' ILE . 3.1 mp -61.12 -45.26 98.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.973 0.416 . . . . 0.0 110.513 -178.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.57 -38.83 84.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.94 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.47 ' O ' HG23 ' A' ' 76' ' ' VAL . 37.9 ttp180 -61.96 -47.81 83.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.624 -178.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 m -65.49 -41.16 93.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.255 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.68 -35.03 78.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.778 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.473 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 5.3 t80 -63.39 -47.55 81.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.712 177.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 72' ' ' ARG . 86.5 t -60.35 -38.03 76.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.983 178.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.01 -34.96 75.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.9 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.55 -42.87 58.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.283 176.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.4 m -60.9 -28.35 68.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.405 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.534 ' HG2' HD11 ' A' ' 85' ' ' LEU . 57.8 mtp180 -59.23 -43.28 92.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.9 0.381 . . . . 0.0 111.333 177.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -73.96 -17.7 60.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.803 -176.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.6 -10.45 25.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.429 175.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 65.33 30.14 11.23 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.233 -178.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 66.0 m -103.86 66.35 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.407 0.622 . . . . 0.0 109.862 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.534 HD11 ' HG2' ' A' ' 80' ' ' ARG . 88.8 mt -108.31 140.69 41.22 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.549 -175.319 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.436 ' HG2' ' HB3' ' A' ' 20' ' ' SER . 8.9 mmm -149.32 178.22 8.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.846 176.185 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.04 178.22 7.19 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -177.302 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -62.14 -38.87 90.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.302 0.572 . . . . 0.0 110.151 175.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -86.62 134.13 33.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.944 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.02 166.08 23.77 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -171.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -73.73 127.87 33.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.763 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.424 ' HA ' ' HD2' ' A' ' 93' ' ' PRO . . . -115.27 110.07 45.79 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.588 -177.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 92' ' ' ALA . 18.1 Cg_endo -59.93 -73.36 0.02 OUTLIER 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 123.208 2.605 . . . . 0.0 113.416 -175.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -113.08 138.46 49.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.785 0.326 . . . . 0.0 110.872 -175.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.7 m -133.36 158.41 43.08 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.1 pt -91.15 -178.64 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.832 0.348 . . . . 0.0 111.235 -177.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -94.69 129.29 41.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.065 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.2 t -136.0 145.35 46.02 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.569 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -144.42 -46.38 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.126 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--O 1.251 1.163 0 CA-C-O 118.519 -0.753 . . . . 0.0 109.877 179.922 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.1 mtt . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.979 0.419 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -131.08 107.82 9.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.185 -178.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.713 HG12 ' HG3' ' A' ' 4' ' ' GLN . 41.7 t -72.5 122.28 24.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.988 -174.168 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.713 ' HG3' HG12 ' A' ' 3' ' ' VAL . 87.8 mt-30 66.86 26.95 9.19 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.993 177.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 p -59.73 135.0 57.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.587 178.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 85.7 mtp -73.0 152.51 41.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.782 -174.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 73.5 mt -81.15 125.89 30.8 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.146 -175.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.8 mt -87.99 95.06 9.98 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 173.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -77.51 150.01 34.91 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.605 -175.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -78.54 97.97 5.94 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 177.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.3 t -106.57 139.57 27.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.13 -178.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.533 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 58.1 mttp -95.25 153.71 17.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.072 0.463 . . . . 0.0 111.176 179.469 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.43 141.05 29.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.611 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -70.71 -40.91 72.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.243 0.544 . . . . 0.0 110.008 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.557 ' HB2' ' HD2' ' A' ' 72' ' ' ARG . 74.5 mmtt -109.7 122.77 38.25 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.122 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 15' ' ' LYS . 15.9 Cg_exo -67.81 142.81 58.91 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.794 2.329 . . . . 0.0 112.631 -179.343 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.7 t -118.15 122.76 70.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.478 175.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.654 ' HB ' ' HG2' ' A' ' 86' ' ' MET . 23.6 m -108.01 96.21 6.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.22 0.533 . . . . 0.0 110.774 -176.351 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.425 ' CG1' ' HE2' ' A' ' 29' ' ' PHE . 16.0 mm -88.75 104.52 14.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -176.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.706 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 0.5 OUTLIER -86.73 99.82 12.05 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.847 177.634 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.6 mt -76.42 168.15 20.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.586 -174.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -66.1 -11.15 46.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.642 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -70.21 -14.07 62.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.394 175.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.51 31.17 11.86 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.112 -0.566 . . . . 0.0 112.499 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.456 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -144.47 119.61 5.99 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.667 0.27 . . . . 0.0 111.472 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.706 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 6.8 Cg_exo -75.65 110.16 3.04 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 123.288 2.658 . . . . 0.0 112.089 173.077 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -95.05 114.86 26.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.215 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.728 HD11 ' HE3' ' A' ' 89' ' ' LYS . 48.7 mt -85.17 119.9 34.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.401 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.425 ' HE2' ' CG1' ' A' ' 19' ' ' ILE . 66.0 m-85 -100.12 109.47 21.75 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.891 176.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -100.55 -10.7 20.76 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 175.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.533 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -115.18 133.7 11.14 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 175.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.513 HG11 ' HB2' ' A' ' 61' ' ' SER . 37.7 t -69.21 -35.74 69.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.966 0.412 . . . . 0.0 110.605 -177.008 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -66.09 -36.85 84.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.386 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.417 ' OE2' ' HA3' ' A' ' 31' ' ' GLY . 14.0 mt-10 -62.58 -40.98 98.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.839 177.158 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.482 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -72.3 -34.93 68.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 178.247 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -57.09 -51.59 68.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.56 177.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.97 -40.66 96.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.837 177.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -57.84 -46.06 85.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.046 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 97.6 mt -63.1 -36.28 83.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.53 -179.313 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -78.71 -36.69 43.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.798 -178.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -62.37 -67.25 0.43 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.69 -176.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -164.64 89.57 0.51 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.288 0.566 . . . . 0.0 111.934 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 65.8 t-105 -85.74 136.51 36.75 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 164.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.4 14.54 0.14 Allowed 'Trans proline' 0 N--CA 1.479 0.624 0 C-N-CA 123.091 2.527 . . . . 0.0 114.18 -176.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.4 70.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.277 0.56 . . . . 0.0 109.501 177.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 46' ' ' ARG . 14.7 ptt-85 -104.2 138.52 40.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.502 -177.055 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.81 -18.18 7.15 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 -176.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -87.14 145.71 26.32 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.301 -0.449 . . . . 0.0 110.51 -177.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -71.71 -17.18 62.23 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -173.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.52 -40.42 23.2 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -59.91 -37.03 78.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.88 171.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -77.11 -31.6 55.95 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.522 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -54.54 -47.19 73.47 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 174.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.46 -44.35 87.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.588 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.5 tp -59.95 -45.53 92.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.241 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -61.51 -40.62 95.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.643 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.465 HD12 ' HB3' ' A' ' 74' ' ' ALA . 80.5 mt -69.47 -35.68 75.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.012 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.653 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 71.9 m -60.02 -43.29 95.38 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 176.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.7 ttt180 -62.73 -45.56 92.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.0 176.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.89 -27.41 67.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.498 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.513 ' HB2' HG11 ' A' ' 32' ' ' VAL . 49.6 m -69.36 -36.99 77.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.915 0.388 . . . . 0.0 109.98 176.06 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 41.1 mt -68.52 -20.38 64.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.535 0.683 . . . . 0.0 109.832 177.301 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 76.4 mtp -88.65 -1.93 58.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.438 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.75 19.31 77.97 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.384 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -95.13 -33.19 12.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.13 0.49 . . . . 0.0 110.765 -176.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.524 HG13 ' HB ' ' A' ' 70' ' ' ILE . 93.2 t -111.04 110.59 32.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.091 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.47 89.7 7.77 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -175.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.48 -93.96 0.07 OUTLIER Glycine 0 CA--C 1.523 0.539 0 N-CA-C 115.539 0.976 . . . . 0.0 115.539 166.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.486 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 38.4 tt0 -58.37 -29.14 65.78 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -169.096 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.524 ' HB ' HG13 ' A' ' 66' ' ' VAL . 59.7 mt -60.63 -51.17 76.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.292 0.567 . . . . 0.0 109.964 177.356 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.02 85.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.09 176.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.557 ' HD2' ' HB2' ' A' ' 15' ' ' LYS . 16.7 ttt180 -55.49 -51.21 67.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.7 176.329 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 m -54.43 -46.76 73.3 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.973 -177.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.465 ' HB3' HD12 ' A' ' 57' ' ' LEU . . . -76.41 -30.92 57.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.621 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -64.5 -42.42 95.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.107 0.48 . . . . 0.0 109.783 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 72' ' ' ARG . 95.9 t -64.15 -39.17 84.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.056 176.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.52 -43.29 89.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.955 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.18 -38.85 82.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.99 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.5 m -69.24 -20.19 63.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.064 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -58.74 -36.54 74.49 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.038 0.447 . . . . 0.0 110.558 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -71.53 -16.43 62.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.105 -177.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.68 -4.89 58.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.237 176.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 59.8 m80 60.99 26.94 16.86 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.441 177.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.5 t -140.38 87.32 2.13 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.8 mt -97.44 122.71 40.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.632 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.654 ' HG2' ' HB ' ' A' ' 18' ' ' THR . 49.1 ttm -159.36 98.46 1.41 Allowed 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.673 -178.449 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -87.05 -66.33 0.92 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 176.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -90.66 153.73 20.08 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.846 -1.07 . . . . 0.0 108.792 170.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.728 ' HE3' HD11 ' A' ' 28' ' ' ILE . 87.4 mttt -74.7 165.51 25.11 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.122 0.487 . . . . 0.0 111.36 -178.517 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -84.41 -8.47 58.96 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 170.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.474 ' H ' ' HB3' ' A' ' 89' ' ' LYS . 14.3 mt-10 -82.51 97.05 8.23 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.006 173.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -115.42 102.4 54.43 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 120.802 0.334 . . . . 0.0 111.298 -174.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -71.54 -15.32 30.75 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.84 2.36 . . . . 0.0 111.169 174.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -78.64 78.16 5.1 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.843 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 p -103.63 132.93 49.45 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.922 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 61.1 mt -87.33 119.69 35.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.809 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -87.65 87.84 7.5 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.924 0.392 . . . . 0.0 110.3 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.9 m -71.11 100.11 1.98 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.005 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -163.75 128.74 1.88 Allowed Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.257 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.086 178.155 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.5 mtm . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 121.2 0.524 . . . . 0.0 109.91 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -137.51 -166.54 1.96 Allowed 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 -178.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 66.8 t -67.77 -31.98 54.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.077 0.465 . . . . 0.0 109.864 175.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -55.18 -68.13 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.662 175.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 m -112.12 109.47 19.2 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 176.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 63.9 mtm -94.03 166.65 12.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.001 -173.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 92.2 mt -85.91 140.24 30.54 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.61 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.562 HD13 ' HE1' ' A' ' 33' ' ' TYR . 87.9 mt -93.7 128.22 39.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.077 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.441 ' HB2' ' O ' ' A' ' 62' ' ' LEU . 46.2 m-80 -84.32 124.6 31.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.032 0.444 . . . . 0.0 110.641 -177.167 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -80.16 110.07 15.23 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.147 177.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.3 t -103.99 116.33 47.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.38 -177.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -67.98 128.44 36.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.912 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.563 ' HB3' ' HB3' ' A' ' 16' ' ' PRO . 1.0 OUTLIER -89.8 104.07 16.67 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.151 -176.508 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -65.29 -51.53 60.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.27 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.445 ' HD2' ' HG2' ' A' ' 69' ' ' GLU . 95.6 mttt -112.88 84.37 6.73 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 174.504 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.563 ' HB3' ' HB3' ' A' ' 13' ' ' TRP . 98.1 Cg_endo -83.38 -173.45 1.65 Allowed 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.97 2.447 . . . . 0.0 113.194 -170.29 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.543 HG22 ' HG3' ' A' ' 72' ' ' ARG . 88.8 t -113.73 120.38 63.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.543 178.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.2 m -88.54 94.75 9.98 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 170.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.3 tt -88.8 111.43 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-O 121.56 0.695 . . . . 0.0 110.14 -170.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.473 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 19.2 m -83.6 99.83 10.43 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.788 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.9 mp -61.72 155.91 21.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.213 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.57 -15.19 25.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.194 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -81.55 4.45 21.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.021 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.54 37.2 36.04 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.217 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -133.46 109.51 12.35 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 120.683 0.278 . . . . 0.0 111.17 -177.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.473 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 5.8 Cg_exo -80.44 112.62 2.76 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 123.189 2.593 . . . . 0.0 112.064 176.138 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -97.62 120.75 38.56 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.367 176.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.5 mt -88.83 118.89 35.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.282 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -77.69 129.03 35.02 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.483 177.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -86.33 -27.24 24.43 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.404 0.621 . . . . 0.0 109.999 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.38 163.99 28.41 Favored Glycine 0 N--CA 1.441 -0.985 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.57 HG11 ' HB3' ' A' ' 61' ' ' SER . 26.1 t -68.0 -30.22 47.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 -177.183 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.562 ' HE1' HD13 ' A' ' 8' ' ' LEU . 63.8 t80 -66.71 -37.67 85.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 110.254 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -61.17 -36.82 80.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.242 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.592 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -67.3 -49.81 62.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.62 176.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.442 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 90.4 t80 -55.99 -45.54 78.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.916 178.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -65.3 -44.18 88.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.032 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -59.47 -37.12 77.4 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.818 0.342 . . . . 0.0 111.131 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 94.5 mt -64.36 -30.13 71.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.16 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -84.0 -21.62 31.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.628 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -78.8 -73.78 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -146.56 75.79 1.41 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.02 0.438 . . . . 0.0 111.587 -176.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.481 ' CE3' ' HD2' ' A' ' 44' ' ' PRO . 64.0 t-105 -86.46 126.1 65.44 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 170.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.481 ' HD2' ' CE3' ' A' ' 43' ' ' TRP . 55.7 Cg_exo -35.65 -60.61 0.32 Allowed 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 124.256 3.304 . . . . 0.0 114.461 -175.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -115.83 93.98 4.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.926 0.393 . . . . 0.0 111.172 -178.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 43' ' ' TRP . 90.8 mtm180 -97.65 143.56 28.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.076 -179.257 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.07 -32.49 3.96 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.832 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -90.35 -171.83 3.23 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.502 0.668 . . . . 0.0 111.376 -174.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.8 mtt85 -69.33 -33.21 72.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.73 -176.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.3 -54.38 47.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.019 -178.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.438 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 34.6 t-80 -59.42 -41.76 90.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.776 177.461 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -63.21 -53.8 47.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.712 -177.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.525 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 86.0 mt-30 -68.8 -31.74 70.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.041 -176.428 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.414 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -60.37 -38.44 83.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 110.257 175.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 51' ' ' HIS . 94.7 mt -64.17 -48.41 76.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.176 175.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -57.04 -45.61 83.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.214 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 58.3 mt -57.05 -49.79 74.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.571 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 41.3 m -69.12 -41.69 77.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.784 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.1 ttt-85 -59.73 -47.76 84.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.801 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.449 ' HB1' ' HB3' ' A' ' 65' ' ' ASP . . . -65.0 -36.57 84.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.731 178.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.57 ' HB3' HG11 ' A' ' 32' ' ' VAL . 12.6 t -64.6 -32.84 74.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.345 179.188 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 92.6 mt -73.69 -14.95 61.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.178 0.513 . . . . 0.0 110.945 178.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.5 mmm -94.75 -4.48 47.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.81 175.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.52 12.52 64.67 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.391 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.449 ' HB3' ' HB1' ' A' ' 60' ' ' ALA . 28.6 t70 -79.77 -34.67 39.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.04 0.448 . . . . 0.0 110.596 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.494 HG13 ' HB ' ' A' ' 70' ' ' ILE . 63.0 t -107.14 132.18 55.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.291 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.68 27.89 0.35 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.422 ' H ' HG12 ' A' ' 66' ' ' VAL . . . 78.19 -57.16 4.03 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.797 175.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.445 ' HG2' ' HD2' ' A' ' 15' ' ' LYS . 44.4 mt-10 -58.29 -44.41 88.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.753 0.311 . . . . 0.0 111.57 -176.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.494 ' HB ' HG13 ' A' ' 66' ' ' VAL . 71.8 mt -60.62 -35.89 66.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.745 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.79 95.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.647 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.543 ' HG3' HG22 ' A' ' 17' ' ' VAL . 25.5 ttt180 -60.94 -52.88 63.15 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.693 0.282 . . . . 0.0 110.847 178.496 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.9 m -59.41 -50.05 75.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.351 -176.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.15 -26.92 65.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.361 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.452 ' CE1' HD21 ' A' ' 39' ' ' LEU . 69.4 t80 -68.82 -44.04 74.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.217 178.328 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 72' ' ' ARG . 73.1 t -61.39 -38.89 81.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.274 178.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.11 94.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.832 177.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.48 -35.74 68.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.778 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.6 m -62.23 -25.26 67.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.028 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.721 ' HG3' HD11 ' A' ' 85' ' ' LEU . 77.3 ttt180 -62.72 -37.39 86.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -71.12 -13.08 61.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.675 -176.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -107.81 2.47 23.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.514 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.2 m80 61.09 21.13 11.56 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.478 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 9.7 t -98.77 62.12 1.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.721 HD11 ' HG3' ' A' ' 80' ' ' ARG . 73.4 mt -103.93 131.5 51.1 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -172.242 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 52.6 ttp -98.68 133.41 43.05 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 164.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.464 ' C ' ' H ' ' A' ' 89' ' ' LYS . 30.9 mt-10 -69.81 1.77 4.03 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.878 0.695 . . . . 0.0 112.878 -175.194 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.448 ' HB3' ' O ' ' A' ' 87' ' ' GLU . 21.5 t70 73.43 -33.35 0.26 Allowed 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.173 0.511 . . . . 0.0 110.823 -176.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.464 ' H ' ' C ' ' A' ' 87' ' ' GLU . 78.7 mttt -59.83 -25.84 65.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.522 178.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.19 -26.67 68.62 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.193 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -143.11 90.75 2.22 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.469 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . . . -82.63 119.5 74.71 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.512 -168.369 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 92' ' ' ALA . 2.9 Cg_endo -86.11 8.41 4.51 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 123.236 2.624 . . . . 0.0 111.789 174.408 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -78.43 -4.27 47.48 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.744 -178.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.2 p -62.5 -32.91 73.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.239 178.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 58.8 mt -71.13 -40.55 75.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.469 176.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.01 134.24 48.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.763 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 m -67.94 -53.05 29.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.931 0.396 . . . . 0.0 110.561 -178.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -109.83 121.05 5.9 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.393 -178.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.654 -0.689 . . . . 0.0 109.906 177.872 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.3 mtp . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 120.766 0.317 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -87.88 -31.8 19.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.044 0.449 . . . . 0.0 110.356 178.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.8 t -122.52 113.8 39.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.445 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -80.23 -56.55 4.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.859 179.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.0 m -91.88 110.1 21.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.462 -176.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 64.1 mtt -87.68 91.47 8.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.436 176.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 54.1 tp -89.91 136.98 32.72 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 176.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.2 mt -68.71 -62.11 1.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.925 0.393 . . . . 0.0 110.958 -176.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -135.38 108.86 7.89 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.153 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -80.77 90.99 5.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.907 0.86 . . . . 0.0 109.954 178.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.0 t -89.9 112.5 24.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.844 -177.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.557 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 95.0 mttt -100.81 159.25 15.35 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 120.935 0.398 . . . . 0.0 111.415 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.86 -174.72 4.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.194 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -58.39 -65.28 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.291 175.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.554 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . 83.8 tttt 174.13 -56.86 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.133 -177.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.554 ' HD3' ' HB3' ' A' ' 15' ' ' LYS . 96.3 Cg_endo -80.27 78.98 3.47 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.828 1.686 . . . . 0.0 113.383 -175.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.505 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 24.2 t -116.56 87.04 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 173.192 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.569 HG23 HG12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -103.54 111.0 23.26 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.517 -174.635 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.626 ' O ' ' HA ' ' A' ' 26' ' ' PRO . 10.7 tt -102.17 137.84 28.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.743 178.53 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.532 ' HB3' ' O ' ' A' ' 84' ' ' CYS . 12.5 t -118.31 138.68 52.22 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.971 0.415 . . . . 0.0 109.91 -178.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.434 HD23 ' HG3' ' A' ' 44' ' ' PRO . 10.3 mp -118.05 171.71 7.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.574 -178.15 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -66.85 -14.87 63.18 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.166 0.507 . . . . 0.0 110.654 178.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -78.55 -2.1 37.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.65 177.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.71 49.01 52.57 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.376 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.06 100.36 7.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 120.685 0.279 . . . . 0.0 111.425 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.626 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 6.2 Cg_exo -79.93 116.77 3.47 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 123.368 2.712 . . . . 0.0 111.461 174.227 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' A' ' 18' ' ' THR . 63.0 mtt85 -113.5 143.58 44.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.277 -179.462 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.569 HG12 HG23 ' A' ' 18' ' ' THR . 63.5 mt -97.87 116.29 40.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.525 177.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -84.93 133.02 34.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.354 -0.384 . . . . 0.0 109.966 175.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -85.03 -34.53 22.29 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.557 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -142.24 178.97 20.47 Favored Glycine 0 N--CA 1.438 -1.168 0 CA-C-N 115.454 -0.794 . . . . 0.0 112.53 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.545 HG11 ' HB2' ' A' ' 61' ' ' SER . 17.6 t -78.29 -24.54 13.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.669 0.271 . . . . 0.0 111.267 -174.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -67.87 -43.51 79.23 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.422 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -59.43 -38.18 80.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.249 177.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.506 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -63.5 -50.8 68.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.711 177.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.544 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 72.2 t80 -63.02 -44.35 96.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.971 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -61.32 -41.68 97.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.225 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -61.63 -47.16 86.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.699 178.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.544 ' HA ' ' HB2' ' A' ' 43' ' ' TRP . 95.0 mt -60.48 -47.5 85.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -67.69 -38.44 83.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.816 -178.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -67.97 -61.24 1.96 Allowed 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.071 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -157.38 85.86 0.93 Allowed 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.354 0.597 . . . . 0.0 111.684 -177.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.625 ' CZ3' HD11 ' A' ' 19' ' ' ILE . 61.3 t-105 -101.04 110.81 62.21 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 168.018 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.434 ' HG3' HD23 ' A' ' 21' ' ' LEU . 73.2 Cg_endo -74.13 32.37 0.34 Allowed 'Trans proline' 0 N--CA 1.473 0.296 0 C-N-CA 123.372 2.714 . . . . 0.0 113.732 -172.277 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -145.51 132.78 20.54 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 mtm-85 -136.53 157.56 46.49 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.84 -98.41 0.11 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.194 -178.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.537 ' OD2' ' HG3' ' A' ' 49' ' ' ARG . 37.6 t70 -149.15 -103.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.725 0.263 . . . . 0.0 111.421 -177.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.537 ' HG3' ' OD2' ' A' ' 48' ' ' ASP . 83.6 mtt180 -78.27 -31.33 49.0 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -171.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.7 -31.19 71.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.094 0.473 . . . . 0.0 110.55 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -78.45 -42.18 30.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.672 178.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.434 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 98.4 mt-10 -61.31 -48.65 80.39 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.905 178.523 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -57.41 -43.86 84.11 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.296 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.68 -44.61 77.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.918 0.389 . . . . 0.0 110.809 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.1 mt -66.8 -41.12 88.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.874 179.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 95.5 mtt180 -66.11 -46.86 76.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.201 -178.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.8 mt -58.64 -40.86 84.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.544 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 74.0 m -65.5 -47.9 74.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.413 -179.387 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.2 mtm180 -70.67 -32.27 69.48 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.138 -177.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.33 95.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.108 0.48 . . . . 0.0 110.447 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.545 ' HB2' HG11 ' A' ' 32' ' ' VAL . 26.2 m -62.66 -35.22 78.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.92 179.212 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.7 mt -68.18 -17.29 64.29 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.59 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 71.5 mtm -97.74 -8.24 29.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.966 0.412 . . . . 0.0 110.614 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.37 7.29 58.25 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.6 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.04 -30.08 70.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.928 0.394 . . . . 0.0 111.132 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.454 HG13 ' HB ' ' A' ' 70' ' ' ILE . 44.2 t -121.5 134.35 65.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.169 -178.271 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.35 21.66 0.75 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.087 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.43 ' H ' HG12 ' A' ' 66' ' ' VAL . . . 88.93 -45.13 3.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.003 178.296 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -55.14 -62.41 1.68 Allowed 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -177.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.454 ' HB ' HG13 ' A' ' 66' ' ' VAL . 67.4 mt -56.48 -36.43 47.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.178 0.513 . . . . 0.0 110.949 -178.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.86 -36.42 78.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.085 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.452 ' O ' HG23 ' A' ' 76' ' ' VAL . 46.3 ttt180 -66.62 -47.67 71.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.647 0.26 . . . . 0.0 110.912 -176.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 p -70.32 -42.39 72.01 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 120.867 0.365 . . . . 0.0 111.192 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.53 -35.05 79.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.307 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.412 ' HE1' HD12 ' A' ' 19' ' ' ILE . 44.4 t80 -63.09 -45.14 93.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.168 178.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 72' ' ' ARG . 91.6 t -59.56 -39.64 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.481 178.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.6 -43.55 93.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.307 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.34 -32.05 70.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.056 0.455 . . . . 0.0 111.163 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.7 m -74.5 -2.6 26.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.814 -177.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -65.68 -12.62 55.13 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.76 0.314 . . . . 0.0 110.64 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -56.6 -36.14 69.07 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.723 175.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.01 -16.23 62.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.271 -178.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 20.1 m80 59.28 36.22 23.55 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.002 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.532 ' O ' ' HB3' ' A' ' 20' ' ' SER . 22.2 t -160.99 99.15 1.21 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.501 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.607 ' H ' ' HB2' ' A' ' 88' ' ' ASP . 77.1 mt -122.19 178.41 4.94 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.525 177.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 47.3 mtp -66.95 -31.71 72.47 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.167 172.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -96.41 69.37 2.62 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 170.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.607 ' HB2' ' H ' ' A' ' 85' ' ' LEU . 26.3 t70 -140.32 133.01 28.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.047 -179.189 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -101.15 120.53 40.36 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.718 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.98 -24.59 66.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.994 174.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -71.99 152.23 42.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.279 175.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -112.55 100.89 51.53 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-O 120.878 0.371 . . . . 0.0 110.943 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.76 151.89 36.7 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 122.851 2.367 . . . . 0.0 111.442 177.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -100.63 -36.33 9.19 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.19 0.519 . . . . 0.0 109.826 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.7 p -100.22 112.84 25.18 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.067 174.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 62.8 mt -122.92 104.73 14.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.631 -173.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.6 95.85 7.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.836 175.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.7 p -74.04 119.58 18.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.07 0.462 . . . . 0.0 111.092 -176.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -136.84 -134.26 3.26 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.874 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.1 m . . . . . 0 C--O 1.25 1.091 0 O-C-N 123.947 0.439 . . . . 0.0 110.907 178.833 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -61.54 -45.44 94.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.346 0.593 . . . . 0.0 109.964 176.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.0 t -81.2 112.54 19.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.323 177.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.477 ' HG2' ' HG3' ' A' ' 63' ' ' MET . 27.8 mt-30 -112.83 147.78 36.24 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.23 176.381 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 p -77.65 147.67 35.43 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.703 178.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 25.5 ttt -66.19 -26.45 67.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.282 0.563 . . . . 0.0 109.573 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 60.9 tp -88.86 120.03 29.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.715 173.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.2 mt -80.11 144.39 33.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.326 179.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -98.16 141.19 31.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.688 -175.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -81.83 95.28 7.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.19 0.519 . . . . 0.0 110.131 178.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.43 HG21 ' O ' ' A' ' 61' ' ' SER . 61.1 t -98.12 110.53 25.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.409 -178.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -82.23 145.3 30.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.106 177.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.26 144.61 31.43 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.731 0.3 . . . . 0.0 110.592 178.464 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -61.18 -50.04 74.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.823 0.82 . . . . 0.0 108.997 175.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -127.39 103.79 22.4 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 114.317 -1.31 . . . . 0.0 109.146 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -51.24 147.82 20.1 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.779 2.986 . . . . 0.0 113.034 -176.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.2 t -107.31 125.83 63.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.484 -173.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.5 m -88.2 114.91 25.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.158 177.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.516 ' HB ' ' CE2' ' A' ' 29' ' ' PHE . 13.8 mm -119.78 137.03 54.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.429 178.699 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.41 ' HB2' ' SD ' ' A' ' 86' ' ' MET . 20.9 t -96.67 116.54 29.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.791 0.329 . . . . 0.0 110.205 179.242 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.634 ' HG ' ' CE1' ' A' ' 38' ' ' PHE . 7.2 mp -70.86 165.71 22.65 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.031 177.17 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -59.95 -23.27 63.44 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -72.9 -14.71 61.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.717 0.294 . . . . 0.0 111.033 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.88 58.2 1.73 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.573 -176.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.439 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -144.94 114.56 5.02 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.778 -0.211 . . . . 0.0 110.473 -178.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 5.5 Cg_exo -78.21 101.27 1.45 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 123.125 2.55 . . . . 0.0 112.053 178.431 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -95.9 130.69 42.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.482 176.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.7 mt -93.4 113.22 27.82 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.693 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.516 ' CE2' ' HB ' ' A' ' 19' ' ' ILE . 44.2 m-85 -83.16 118.08 23.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.252 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -83.52 -26.2 30.37 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.789 -177.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -138.24 159.55 25.22 Favored Glycine 0 N--CA 1.442 -0.945 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.687 -178.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.558 HG11 ' HB2' ' A' ' 61' ' ' SER . 48.4 t -62.11 -31.68 52.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.939 0.4 . . . . 0.0 111.056 -177.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -61.33 -41.07 96.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.247 -178.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.33 -41.51 97.15 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.264 0.554 . . . . 0.0 110.206 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.618 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -72.18 -45.27 61.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.092 -179.147 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -60.74 -42.77 98.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.664 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -60.95 -50.84 71.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.896 175.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.634 ' CE1' ' HG ' ' A' ' 21' ' ' LEU . 34.5 t80 -52.48 -43.03 64.75 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.229 178.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.2 mt -56.5 -45.64 80.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.685 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -77.04 -17.75 58.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.625 -176.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 54.5 m80 -84.51 -63.1 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.645 177.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -157.02 79.06 0.91 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.015 0.436 . . . . 0.0 111.337 -176.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.57 ' NE1' ' HB3' ' A' ' 45' ' ' ALA . 49.9 t-105 -89.27 113.82 57.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.981 174.332 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.52 ' HD2' ' CE3' ' A' ' 43' ' ' TRP . 83.0 Cg_exo -49.17 -37.72 39.46 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.802 3.001 . . . . 0.0 114.458 -177.174 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.57 ' HB3' ' NE1' ' A' ' 43' ' ' TRP . . . -82.66 85.72 6.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.466 0.65 . . . . 0.0 110.687 -178.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 46' ' ' ARG . 8.7 ptt180 -101.51 148.49 25.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.872 -177.237 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.24 -98.04 0.16 Allowed Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -152.35 -80.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.809 0.304 . . . . 0.0 111.167 174.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 39.5 ttt85 -68.13 -35.01 77.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.826 -171.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.68 -40.49 76.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.25 0.547 . . . . 0.0 110.236 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -70.85 -45.43 64.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.517 178.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -53.0 -56.83 13.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.405 178.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.488 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 53.3 tt0 -52.14 -47.36 65.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.409 -176.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.61 -47.86 75.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.567 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 39' ' ' LEU . 9.8 mp -72.4 -37.85 68.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.316 -178.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.2 mmt85 -62.0 -40.04 94.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.86 0.362 . . . . 0.0 110.968 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 84.5 mt -64.97 -48.42 74.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.679 178.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 73.2 m -65.83 -34.66 78.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.252 -178.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.43 ' HE ' HE22 ' A' ' 4' ' ' GLN . 37.6 ttt180 -62.11 -41.38 98.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.91 0.385 . . . . 0.0 110.647 177.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.44 -35.2 60.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.817 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.558 ' HB2' HG11 ' A' ' 32' ' ' VAL . 47.2 m -64.64 -31.97 73.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.459 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 48.1 mt -70.63 -8.69 53.62 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.806 0.336 . . . . 0.0 111.79 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.477 ' HG3' ' HG2' ' A' ' 4' ' ' GLN . 92.2 mmm -107.29 -5.27 17.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.062 0.458 . . . . 0.0 110.523 177.219 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.78 19.38 58.07 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.615 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -75.63 -38.29 59.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.097 0.475 . . . . 0.0 110.662 178.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.2 t -107.33 121.08 59.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.096 -177.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.13 89.67 4.24 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -175.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.55 -100.64 0.04 OUTLIER Glycine 0 CA--C 1.521 0.409 0 N-CA-C 115.22 0.848 . . . . 0.0 115.22 166.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.566 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 42.8 tt0 -58.18 -26.96 63.41 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -173.25 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 61.8 mt -60.95 -45.99 97.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.889 0.376 . . . . 0.0 110.309 178.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.67 -37.0 79.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.996 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.566 ' HB3' ' HA ' ' A' ' 69' ' ' GLU . 21.6 ttt85 -59.3 -49.19 78.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.064 178.385 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.3 m -66.16 -41.68 90.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.895 0.379 . . . . 0.0 111.069 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.27 -33.06 74.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.024 0.44 . . . . 0.0 110.785 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.442 ' CE1' HD21 ' A' ' 39' ' ' LEU . 39.9 t80 -66.54 -35.81 81.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.806 177.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.554 HG13 HD22 ' A' ' 85' ' ' LEU . 79.3 t -61.07 -39.53 82.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.293 175.011 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.4 87.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.111 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.08 -38.35 66.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.117 0.484 . . . . 0.0 110.594 177.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.3 m -67.81 -16.8 64.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.208 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -61.79 -37.11 83.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.077 -178.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -60.86 -43.27 98.61 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.038 0.447 . . . . 0.0 111.094 -178.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.01 -1.17 57.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.904 -178.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 58.39 34.38 23.95 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.48 -177.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.446 ' SG ' HG23 ' A' ' 19' ' ' ILE . 47.2 t -88.45 32.26 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.695 0.759 . . . . 0.0 109.928 -179.497 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.554 HD22 HG13 ' A' ' 76' ' ' VAL . 90.2 mt -87.29 122.59 31.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.162 -176.185 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.41 ' SD ' ' HB2' ' A' ' 20' ' ' SER . 82.2 mtp -139.68 153.63 47.31 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.303 176.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -81.15 146.29 30.6 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 171.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -71.08 139.63 50.43 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.4 mptt 61.03 31.79 19.86 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 123.577 0.548 . . . . 0.0 110.239 -176.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.64 -33.49 71.6 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.894 -178.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -97.27 99.15 10.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 177.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -116.65 125.66 28.2 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.07 -175.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.0 170.08 20.82 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.885 2.39 . . . . 0.0 112.46 177.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.7 t30 57.02 73.55 0.45 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.124 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.2 m -110.63 151.96 27.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.232 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.2 tp -127.58 104.58 12.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.555 0.693 . . . . 0.0 110.658 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -128.0 -76.39 0.57 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.424 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.2 m -127.85 107.97 10.32 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.355 177.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.3 55.15 4.01 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.1 -0.571 . . . . 0.0 112.255 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 33.1 m . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.564 -0.731 . . . . 0.0 109.573 179.246 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ttt . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -66.59 128.05 34.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.957 0.408 . . . . 0.0 111.077 -175.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.8 t -115.76 127.46 73.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.792 177.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -72.43 -38.38 68.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.353 -178.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 t -85.85 93.25 8.86 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.255 0.55 . . . . 0.0 110.906 -175.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 71.7 mtm -119.83 113.61 20.85 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 173.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.1 mt -81.76 168.31 18.18 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.342 -173.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.7 tp -67.55 -25.22 65.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.672 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -96.07 0.17 51.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.281 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -105.17 74.12 1.09 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 171.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.554 HG12 HD23 ' A' ' 62' ' ' LEU . 5.4 p -96.89 126.53 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.542 -171.598 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.546 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 91.9 mttt -112.4 159.29 18.86 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.379 -178.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.48 135.29 33.55 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.451 0.643 . . . . 0.0 112.429 -174.322 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -71.86 -29.8 64.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.7 -1.137 . . . . 0.0 108.926 175.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.533 ' HB2' ' HD2' ' A' ' 72' ' ' ARG . 88.8 mttt -129.12 102.94 18.58 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 114.492 -1.231 . . . . 0.0 108.848 173.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.67 145.55 59.1 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.951 2.434 . . . . 0.0 112.784 -177.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.478 HG22 ' HG3' ' A' ' 72' ' ' ARG . 55.4 t -102.94 125.55 57.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.893 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.761 ' HB ' ' SD ' ' A' ' 86' ' ' MET . 7.3 m -112.18 109.82 19.74 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.046 0.451 . . . . 0.0 110.088 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.5 ' CG1' ' HE2' ' A' ' 29' ' ' PHE . 27.5 mm -106.64 123.32 61.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.409 -177.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 15.3 m -85.69 115.8 23.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.979 0.418 . . . . 0.0 110.323 177.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.479 HD21 ' CE1' ' A' ' 38' ' ' PHE . 20.6 mt -71.32 -178.69 2.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.848 179.175 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 47.5 tp60 -64.74 -31.45 72.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.406 -176.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -78.43 5.9 9.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.987 177.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.94 33.97 65.52 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.7 -178.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.57 105.02 56.66 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 120.677 0.275 . . . . 0.0 110.513 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 2.7 Cg_exo -76.53 112.33 3.44 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 123.094 2.529 . . . . 0.0 111.97 178.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.446 HH11 ' HD1' ' A' ' 38' ' ' PHE . 79.2 mtp180 -93.68 125.94 38.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.304 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.1 mt -88.64 107.9 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.973 0.416 . . . . 0.0 110.45 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.5 ' HE2' ' CG1' ' A' ' 19' ' ' ILE . 30.7 m-85 -90.8 119.1 30.74 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -104.27 -14.57 15.76 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 -177.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.546 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -128.57 149.09 18.23 Favored Glycine 0 N--CA 1.442 -0.926 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.126 177.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.486 HG11 ' HB2' ' A' ' 61' ' ' SER . 50.2 t -68.26 -28.72 41.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.907 0.384 . . . . 0.0 110.825 -177.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.45 ' HA ' HD11 ' A' ' 62' ' ' LEU . 66.5 t80 -65.57 -35.71 81.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.764 0.316 . . . . 0.0 110.263 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -64.53 -40.73 96.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.258 0.551 . . . . 0.0 110.08 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.573 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -67.62 -41.65 83.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.677 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.479 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 90.9 t80 -59.1 -45.55 90.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.37 176.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.57 -43.72 98.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.374 178.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.479 ' CE1' HD21 ' A' ' 21' ' ' LEU . 62.9 t80 -55.79 -45.28 78.24 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.687 179.447 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 89.4 mt -63.68 -19.07 64.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.191 -175.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -97.93 -31.67 12.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.697 0.284 . . . . 0.0 111.543 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 54.5 m80 -83.01 -39.75 20.86 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.81 -175.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -163.25 84.04 0.49 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.137 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.525 ' HB2' ' HA ' ' A' ' 39' ' ' LEU . 53.7 t-105 -117.4 109.44 42.11 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.085 174.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.89 -32.98 65.65 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.266 2.644 . . . . 0.0 114.068 -175.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.424 ' HB3' ' NE1' ' A' ' 43' ' ' TRP . . . -74.56 107.89 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.152 0.501 . . . . 0.0 110.76 -177.132 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 71.1 mtt-85 -101.35 179.56 4.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.822 -176.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 130.82 -18.27 5.12 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 -175.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 69.0 -53.04 0.58 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.953 0.901 . . . . 0.0 113.119 177.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 70.0 mtm-85 -61.73 -48.37 81.04 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.723 0.297 . . . . 0.0 111.12 -179.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.95 -30.26 68.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.293 0.568 . . . . 0.0 110.54 175.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.412 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 26.3 t-80 -68.63 -45.48 71.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.439 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -65.6 -35.06 79.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.226 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.469 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 34.7 tt0 -59.03 -51.81 68.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.411 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.41 91.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.756 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.446 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 97.2 mt -62.04 -44.29 97.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.741 177.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 45.7 ttm-85 -62.35 -41.14 98.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.592 -177.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 78.0 mt -60.02 -43.95 94.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.444 178.29 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.479 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 63.1 m -66.03 -42.5 89.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.723 178.426 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.465 HH11 ' HD2' ' A' ' 59' ' ' ARG . 63.8 mtt180 -60.9 -44.52 97.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.27 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.74 -39.69 92.46 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.835 0.35 . . . . 0.0 110.986 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.486 ' HB2' HG11 ' A' ' 32' ' ' VAL . 16.9 m -63.35 -39.75 95.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.353 0.597 . . . . 0.0 109.982 177.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.554 HD23 HG12 ' A' ' 11' ' ' VAL . 51.8 mt -86.25 9.39 17.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.651 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 58.6 ttp -112.71 -54.86 2.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.278 -176.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -160.28 -66.18 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 119.149 -1.5 . . . . 0.0 114.65 -176.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -132.85 88.48 2.52 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -165.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.542 HG11 ' HB2' ' A' ' 71' ' ' ALA . 55.1 t -140.56 123.94 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.259 165.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.437 ' HB3' HD12 ' A' ' 70' ' ' ILE . . . -85.49 81.92 8.5 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 35.14 -91.5 0.01 OUTLIER Glycine 0 N--CA 1.469 0.855 0 N-CA-C 116.105 1.202 . . . . 0.0 116.105 167.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -51.54 -34.38 36.26 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.181 0.592 . . . . 0.0 112.213 -176.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.437 HD12 ' HB3' ' A' ' 67' ' ' ALA . 66.5 mt -59.65 -48.35 87.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.844 0.354 . . . . 0.0 110.441 178.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.542 ' HB2' HG11 ' A' ' 66' ' ' VAL . . . -59.58 -34.33 72.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.263 176.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.533 ' HD2' ' HB2' ' A' ' 15' ' ' LYS . 71.9 ttt-85 -63.79 -52.63 59.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.809 0.338 . . . . 0.0 110.586 -178.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.3 m -62.38 -38.67 90.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.062 0.458 . . . . 0.0 110.636 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.06 -34.86 79.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.718 177.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -68.57 -36.61 79.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.061 177.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 75.6 t -65.76 -37.77 80.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.038 0.447 . . . . 0.0 110.361 175.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.55 -30.18 70.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.776 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.75 -41.96 25.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.942 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.4 p -73.9 -10.15 59.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.256 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -62.11 -25.79 67.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.351 0.596 . . . . 0.0 109.486 175.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -70.4 -11.83 61.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.075 178.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.11 -9.54 57.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.836 0.35 . . . . 0.0 110.334 176.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 64.73 25.22 12.98 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.515 176.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 43.2 t -155.24 93.59 1.53 Allowed 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.12 0.486 . . . . 0.0 110.131 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.4 mt -96.58 141.82 29.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.345 178.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.761 ' SD ' ' HB ' ' A' ' 18' ' ' THR . 48.5 ttp -71.03 -35.27 71.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.815 0.34 . . . . 0.0 110.918 -178.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -80.62 138.23 36.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.104 -177.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 54.28 64.48 1.81 Allowed 'General case' 0 C--O 1.234 0.241 0 O-C-N 123.898 0.749 . . . . 0.0 110.061 -173.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.8 tttm -127.97 4.53 5.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.178 -176.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -80.96 43.74 0.71 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.648 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 69.92 127.21 0.03 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.059 -177.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -108.99 105.7 57.62 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.042 -177.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -82.2 -22.21 5.08 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.77 2.313 . . . . 0.0 112.486 177.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -135.15 145.53 47.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.832 -179.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 41.7 p -101.39 173.69 6.33 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 177.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.9 pt -69.91 -12.33 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.796 0.332 . . . . 0.0 110.978 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.44 -11.19 59.93 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.483 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 77.7 p -83.89 105.64 14.94 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -124.98 11.29 7.79 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.222 -177.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.3 p . . . . . 0 C--O 1.25 1.088 0 CA-C-O 119.051 -0.5 . . . . 0.0 110.142 178.096 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 N--CA 1.465 0.302 0 CA-C-O 121.063 0.459 . . . . 0.0 111.648 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.78 HG13 ' HB ' ' A' ' 32' ' ' VAL . 4.1 p -121.45 111.99 33.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.527 0.68 . . . . 0.0 110.511 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -87.91 145.51 26.01 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.778 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -90.71 -176.91 4.85 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -175.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.43 ' C ' ' HD2' ' A' ' 16' ' ' PRO . 27.8 mm-40 -66.62 -28.7 68.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.217 178.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 14' ' ' GLU . 56.8 tttp 111.61 -55.93 0.0 OUTLIER Pre-proline 0 N--CA 1.48 1.038 0 C-N-CA 125.74 1.616 . . . . 0.0 112.94 175.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.43 ' HD2' ' C ' ' A' ' 14' ' ' GLU . 61.1 Cg_endo -73.47 57.47 3.55 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.749 1.633 . . . . 0.0 113.54 -177.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 45.0 t -112.74 107.31 22.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 177.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.562 ' HB ' ' SD ' ' A' ' 86' ' ' MET . 11.9 m -107.43 122.9 47.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.999 -174.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.6 mm -101.03 119.46 49.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.726 172.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 t -83.83 106.05 15.21 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.1 mt -87.76 126.02 34.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.417 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -62.13 -48.22 81.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.769 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -96.98 15.97 20.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.019 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -139.07 -116.14 1.36 Allowed Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.203 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -158.3 162.77 26.23 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -176.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.22 101.94 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.826 2.351 . . . . 0.0 111.867 172.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -96.85 112.29 24.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.487 -177.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 59.6 mt -92.66 119.73 40.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.157 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -91.6 153.25 19.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.612 -178.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -108.13 -25.0 11.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.144 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -137.11 155.23 22.69 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.478 -177.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.78 ' HB ' HG13 ' A' ' 11' ' ' VAL . 40.3 t -71.56 -26.28 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.156 0.503 . . . . 0.0 109.915 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -63.89 -35.97 82.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.284 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -65.35 -45.98 82.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.199 0.523 . . . . 0.0 109.799 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.516 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -63.54 -43.74 96.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.248 -178.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.406 ' HA ' HD12 ' A' ' 39' ' ' LEU . 80.6 t80 -60.01 -42.73 94.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.637 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -67.79 -42.66 81.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.115 0.483 . . . . 0.0 110.323 178.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -58.22 -39.52 79.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.386 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 88.7 mt -59.55 -24.66 63.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.026 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -97.84 -26.74 14.59 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.111 -177.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -76.56 -76.76 0.15 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.81 -176.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -136.04 68.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.12 0.486 . . . . 0.0 111.549 -173.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.424 ' HA ' ' HD2' ' A' ' 44' ' ' PRO . 68.1 t-105 -90.1 117.49 68.1 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 171.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 43' ' ' TRP . 9.5 Cg_endo -49.9 -71.56 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.765 2.977 . . . . 0.0 113.823 -171.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.18 106.38 15.8 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.0 mtt-85 -62.2 -78.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.69 -174.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.74 -98.49 0.56 Allowed Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.375 -0.917 . . . . 0.0 113.06 169.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.454 ' CG ' ' H ' ' A' ' 49' ' ' ARG . 15.5 t70 -166.93 -139.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -174.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.454 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 61.1 mtt85 -57.21 -35.15 69.3 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.56 -36.73 76.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -64.81 -43.62 92.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.806 175.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -65.49 -37.34 86.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.851 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -59.88 -38.13 81.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.72 177.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.95 -51.48 69.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.553 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.473 HD12 HD13 ' A' ' 39' ' ' LEU . 8.9 mp -63.92 -39.84 95.1 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.956 0.408 . . . . 0.0 110.855 177.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -58.33 -51.14 71.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.138 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.9 -33.85 74.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.414 -177.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 70.9 m -64.38 -36.04 82.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.056 0.455 . . . . 0.0 110.14 175.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -65.41 -41.2 93.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.291 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.25 -31.03 69.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.898 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.3 m -64.27 -31.03 72.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.634 177.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.681 HD23 HG12 ' A' ' 11' ' ' VAL . 92.1 mt -64.19 -26.26 68.44 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.769 178.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 62.7 mtt -83.25 -18.31 39.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.724 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.68 31.39 21.49 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.962 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -110.17 6.37 22.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 111.295 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 64.4 t -133.07 136.71 54.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -92.77 169.12 10.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.62 0.248 . . . . 0.0 110.807 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.13 -59.06 11.51 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.941 -0.572 . . . . 0.0 113.797 -173.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.408 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 14.1 mm-40 -69.0 -26.82 65.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.819 0.309 . . . . 0.0 110.942 -175.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 61.4 mt -62.79 -56.03 20.04 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 120.882 0.372 . . . . 0.0 110.374 177.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.92 85.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.295 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.479 ' O ' HG23 ' A' ' 76' ' ' VAL . 68.4 ttt180 -57.82 -50.5 73.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.328 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.9 m -61.32 -42.21 98.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.034 0.445 . . . . 0.0 110.765 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.33 -31.91 67.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -64.86 -36.53 84.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.687 177.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 72' ' ' ARG . 89.8 t -66.08 -37.08 78.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.254 176.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 80' ' ' ARG . . . -64.31 -36.96 85.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.783 177.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.63 -41.21 72.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.091 0.472 . . . . 0.0 110.37 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.3 t -65.26 -25.97 67.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.291 177.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.477 ' HB3' ' O ' ' A' ' 77' ' ' ALA . 47.2 ttt180 -62.95 -42.59 99.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.718 176.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -63.96 -38.94 92.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.163 0.506 . . . . 0.0 110.034 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.14 -13.4 60.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.332 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.6 m170 62.28 28.2 16.84 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.103 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.2 t -105.32 29.13 6.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.467 0.651 . . . . 0.0 109.487 -176.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.05 139.54 58.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.04 -175.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.562 ' SD ' ' HB ' ' A' ' 18' ' ' THR . 19.8 ttt . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.348 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 . . . . . 0 CA--C 1.515 -0.37 0 CA-C-O 121.147 0.499 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.0 t -114.16 112.47 40.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.728 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -89.14 142.66 27.45 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 171.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.469 ' CZ3' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -78.85 128.48 33.4 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.782 -179.46 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.06 -48.45 20.78 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -97.6 105.43 26.22 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.518 172.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.472 ' HB2' HG23 ' A' ' 28' ' ' ILE . 31.2 Cg_endo -62.43 150.28 87.92 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 123.13 2.553 . . . . 0.0 113.253 -171.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.546 HG22 ' HG3' ' A' ' 72' ' ' ARG . 43.5 t -103.56 105.91 19.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.953 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 m -95.67 108.38 20.66 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.246 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.574 HD11 ' HZ3' ' A' ' 43' ' ' TRP . 20.5 tt -101.25 132.17 47.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.3 p -101.93 119.7 39.21 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.055 0.455 . . . . 0.0 110.903 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.76 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 10.4 mp -67.14 164.26 18.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.667 174.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.7 -16.96 64.25 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -170.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -92.89 11.68 26.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.044 0.45 . . . . 0.0 110.793 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.411 ' O ' ' HD3' ' A' ' 26' ' ' PRO . . . 77.37 45.82 10.8 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.053 -0.594 . . . . 0.0 111.93 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.76 ' HB3' ' HB2' ' A' ' 21' ' ' LEU . . . -111.74 97.48 37.51 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-O 120.666 0.269 . . . . 0.0 110.781 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 24' ' ' GLY . 4.9 Cg_exo -76.3 117.8 4.73 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 123.219 2.613 . . . . 0.0 112.104 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.544 HH11 ' HE1' ' A' ' 38' ' ' PHE . 99.3 mtt180 -115.08 117.55 30.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.047 176.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.472 HG23 ' HB2' ' A' ' 16' ' ' PRO . 62.2 mt -91.44 116.82 33.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.583 -176.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.462 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 33.3 m-85 -79.05 127.01 31.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.648 178.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -84.96 -41.92 15.43 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.979 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.41 161.53 21.51 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.804 -0.713 . . . . 0.0 111.88 -178.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.605 HG11 ' HB2' ' A' ' 61' ' ' SER . 78.5 t -62.87 -38.48 81.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.012 0.434 . . . . 0.0 111.343 -178.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -66.52 -33.68 76.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.188 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -65.76 -36.29 83.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.373 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.458 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -67.26 -40.31 86.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.404 176.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -62.47 -42.04 99.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.508 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -59.73 -52.42 65.55 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.948 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.544 ' HE1' HH11 ' A' ' 27' ' ' ARG . 84.6 t80 -54.02 -42.07 68.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.471 -178.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.1 mt -61.95 -27.86 69.13 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -176.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -100.87 -27.55 13.26 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.259 -178.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -83.6 -48.13 10.55 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.735 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -139.49 77.86 1.64 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.993 0.425 . . . . 0.0 111.773 -174.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.574 ' HZ3' HD11 ' A' ' 19' ' ' ILE . 60.2 t-105 -111.39 107.31 57.09 Favored Pre-proline 0 C--N 1.318 -0.771 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 173.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -82.75 37.81 0.7 Allowed 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 123.178 2.585 . . . . 0.0 113.289 -173.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.25 -171.57 2.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.315 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -112.21 -122.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.042 175.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.19 -34.98 3.23 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.243 -0.98 . . . . 0.0 111.58 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.8 t70 58.73 -91.12 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.282 0.633 . . . . 0.0 111.319 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -64.05 -43.55 95.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.708 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.87 -32.16 73.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.84 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 47.3 t60 -70.9 -47.44 59.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.253 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -65.2 -39.28 92.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.894 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.611 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 35.6 tt0 -59.58 -49.01 79.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.641 176.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.516 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -57.74 -41.78 82.55 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.341 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.3 mt -64.08 -43.82 94.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.97 0.414 . . . . 0.0 110.499 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -64.12 -40.01 95.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.083 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 84.7 mt -56.21 -49.84 72.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.414 177.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 55.5 m -65.53 -41.3 93.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.534 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -61.44 -47.49 85.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.717 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.3 -27.93 64.78 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.385 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.605 ' HB2' HG11 ' A' ' 32' ' ' VAL . 61.8 m -70.78 -36.09 72.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.378 177.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.7 mt -68.96 -27.57 65.85 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.437 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 87.2 mtp -72.1 -33.13 67.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.087 175.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.9 20.27 10.87 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.559 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -98.15 -23.63 15.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 122.613 -0.345 . . . . 0.0 111.334 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.51 HG11 ' HB2' ' A' ' 71' ' ' ALA . 60.7 t -101.79 116.84 46.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 176.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.87 65.62 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -175.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.04 -84.12 0.07 OUTLIER Glycine 0 CA--C 1.522 0.524 0 N-CA-C 115.04 0.776 . . . . 0.0 115.04 169.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -66.94 -25.71 66.48 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -170.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.6 mt -59.42 -41.36 84.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.005 0.431 . . . . 0.0 110.205 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.51 ' HB2' HG11 ' A' ' 66' ' ' VAL . . . -72.09 -36.82 69.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.336 177.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.546 ' HG3' HG22 ' A' ' 17' ' ' VAL . 29.0 ttt180 -58.39 -48.3 81.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.425 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.9 m -66.05 -43.67 86.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.064 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.1 -36.01 77.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.244 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -57.86 -49.83 75.36 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.033 0.444 . . . . 0.0 110.147 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 97.0 t -63.73 -41.37 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.561 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.33 -44.03 88.49 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.359 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.6 -34.01 75.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.048 0.452 . . . . 0.0 111.012 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.0 m -76.53 -9.95 59.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.701 -176.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.722 ' HG2' HD11 ' A' ' 85' ' ' LEU . 35.5 mtp180 -64.66 -31.14 72.22 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.779 0.323 . . . . 0.0 110.749 -178.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -67.45 -25.66 66.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.69 -15.98 61.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.674 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 38.9 m80 62.91 37.19 12.22 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.289 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 35.9 t -150.21 92.66 1.9 Allowed 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.619 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.722 HD11 ' HG2' ' A' ' 80' ' ' ARG . 94.4 mt -122.52 178.06 5.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.967 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 91.9 mmm . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.423 176.46 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 CA--C 1.514 -0.41 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.2 t -89.43 104.47 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-O 121.275 0.56 . . . . 0.0 109.967 -175.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.562 ' HD3' ' HA3' ' A' ' 31' ' ' GLY . 68.9 mmtt -89.3 157.69 18.11 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.31 176.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -169.5 2.57 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.211 178.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.04 -57.45 10.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.697 174.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.55 -59.85 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.868 175.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -91.16 129.6 1.31 Allowed 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 121.881 1.72 . . . . 0.0 114.189 -171.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 60.5 t -141.2 89.19 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 166.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 m -86.75 106.61 17.79 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -171.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.405 ' CG1' ' HE2' ' A' ' 29' ' ' PHE . 35.6 mm -113.02 104.63 17.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.133 174.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.675 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 55.8 m -80.83 101.02 9.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.037 0.446 . . . . 0.0 110.77 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.458 HD21 ' CZ ' ' A' ' 38' ' ' PHE . 81.8 mt -71.5 145.02 49.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.886 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -60.01 -18.46 46.17 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.307 0.575 . . . . 0.0 110.52 175.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -67.16 -12.88 61.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.614 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.46 44.19 3.52 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.089 -0.577 . . . . 0.0 112.225 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -154.45 110.44 2.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.712 0.292 . . . . 0.0 111.32 -178.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.675 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 4.4 Cg_exo -77.8 96.28 1.09 Allowed 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 123.038 2.492 . . . . 0.0 111.073 171.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -83.68 117.84 23.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.53 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.476 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 67.0 mt -97.4 105.81 17.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.075 178.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.405 ' HE2' ' CG1' ' A' ' 19' ' ' ILE . 23.6 m-85 -84.65 145.58 27.92 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -117.85 -5.65 11.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.074 0.464 . . . . 0.0 110.959 -178.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.562 ' HA3' ' HD3' ' A' ' 12' ' ' LYS . . . -135.28 157.28 23.06 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 120.825 -0.703 . . . . 0.0 111.922 178.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.564 HG11 ' HB2' ' A' ' 61' ' ' SER . 47.0 t -72.67 -32.1 39.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.974 0.416 . . . . 0.0 111.038 -176.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -67.11 -36.35 81.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.518 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.25 -41.01 98.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.643 179.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.595 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -65.86 -43.42 88.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.969 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -61.92 -44.26 97.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.63 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.8 -41.35 83.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.308 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.458 ' CZ ' HD21 ' A' ' 21' ' ' LEU . 26.1 t80 -58.18 -39.85 79.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.68 178.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 94.2 mt -60.63 -27.67 67.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.941 -176.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -92.45 -7.98 46.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.834 0.349 . . . . 0.0 110.851 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -98.92 -84.6 0.4 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.886 -176.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -117.36 37.6 3.83 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -168.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -66.58 110.89 5.54 Favored Pre-proline 0 CA--C 1.533 0.316 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 172.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -85.46 29.76 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.248 2.632 . . . . 0.0 113.834 -168.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -158.01 -174.76 4.99 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -90.75 -167.82 1.92 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 175.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.56 ' HA2' ' OE1' ' A' ' 81' ' ' GLN . . . 172.49 -47.58 0.17 Allowed Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.575 176.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.458 ' OD1' ' HG3' ' A' ' 49' ' ' ARG . 9.5 t70 55.89 -90.45 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.443 0.697 . . . . 0.0 111.517 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.458 ' HG3' ' OD1' ' A' ' 48' ' ' ASP . 99.9 mtt180 -87.82 -30.4 20.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.874 -178.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.12 -29.12 63.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.713 0.768 . . . . 0.0 109.033 172.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.508 ' HB2' ' HA3' ' A' ' 47' ' ' GLY . 20.4 t60 -71.5 -41.1 69.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.238 175.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -61.2 -40.52 94.26 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.493 174.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.605 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 35.8 tt0 -54.26 -49.12 70.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.113 176.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.508 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -64.08 -43.03 96.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.246 179.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.25 -42.9 96.29 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.108 0.48 . . . . 0.0 110.584 177.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -66.38 -39.83 89.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.766 -177.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 79.4 mt -56.15 -52.41 64.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.479 176.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 37.5 m -63.78 -40.01 95.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.589 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -63.63 -51.17 66.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.734 -178.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.25 -32.09 72.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.406 -177.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.564 ' HB2' HG11 ' A' ' 32' ' ' VAL . 51.0 m -66.53 -41.82 88.18 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 176.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 72.2 mt -67.4 -26.26 66.36 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.901 0.381 . . . . 0.0 110.658 176.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 90.7 mtp -78.81 -8.47 58.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.679 175.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.28 20.84 59.77 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.607 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -93.49 -53.39 4.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.886 0.374 . . . . 0.0 110.482 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.8 t -84.13 133.04 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.195 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.35 26.91 0.52 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -175.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.7 -54.09 4.9 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.735 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -58.35 -52.44 65.59 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.806 0.336 . . . . 0.0 111.162 -176.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 59.0 mt -55.6 -35.94 40.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.53 -36.34 82.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.977 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.459 ' O ' HG23 ' A' ' 76' ' ' VAL . 27.9 mtp-105 -64.9 -54.36 32.0 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 120.806 0.336 . . . . 0.0 110.685 -178.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.7 m -56.4 -47.34 79.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.726 -176.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.25 -30.89 65.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.143 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -65.55 -43.38 90.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.015 0.435 . . . . 0.0 109.958 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 72' ' ' ARG . 59.4 t -66.91 -29.65 47.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.2 177.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.46 -37.06 77.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.077 0.465 . . . . 0.0 110.677 177.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.12 -29.6 61.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.71 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.7 m -71.12 -2.89 17.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.852 -178.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.681 ' HG2' HD11 ' A' ' 85' ' ' LEU . 97.1 mtt180 -65.66 -32.14 73.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.606 0.241 . . . . 0.0 110.604 178.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.56 ' OE1' ' HA2' ' A' ' 47' ' ' GLY . 97.0 mt-30 -69.01 -30.27 68.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.972 0.415 . . . . 0.0 110.706 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.32 -17.84 41.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.448 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 66.84 16.72 10.44 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.139 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 79.9 m -85.69 34.89 0.6 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.381 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.681 HD11 ' HG2' ' A' ' 80' ' ' ARG . 64.6 mt -71.04 117.38 12.47 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.379 0.609 . . . . 0.0 111.788 -175.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 83.1 mmm . . . . . 0 C--N 1.315 -0.934 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.348 177.524 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 CA--C 1.519 -0.249 0 CA-C-O 120.989 0.423 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.683 HG12 HD23 ' A' ' 62' ' ' LEU . 7.3 p -143.39 132.07 19.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.746 175.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.563 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 69.5 mmtt -98.38 167.46 10.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.668 -177.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -100.74 137.75 38.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.19 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -75.28 -32.51 61.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.14 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -125.53 104.36 27.99 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.133 175.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -49.19 140.21 25.98 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.656 2.904 . . . . 0.0 113.225 -175.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 50.9 t -104.98 117.52 50.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.476 -178.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.567 ' O ' ' HB2' ' A' ' 86' ' ' MET . 4.8 m -94.88 112.2 23.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.624 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.596 HD11 ' HZ3' ' A' ' 43' ' ' TRP . 16.6 tt -94.03 124.3 46.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.487 ' HB2' ' CG ' ' A' ' 86' ' ' MET . 3.6 t -93.59 100.91 13.08 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.121 0.486 . . . . 0.0 110.077 -177.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.3 mt -78.27 144.01 36.53 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.853 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.077 -172.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -75.2 -1.16 22.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.907 0.384 . . . . 0.0 110.886 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.85 35.39 7.23 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.119 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.21 101.0 49.96 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-O 120.67 0.271 . . . . 0.0 110.826 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -78.69 97.36 1.13 Allowed 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 123.031 2.487 . . . . 0.0 111.002 174.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.722 HH11 ' HE1' ' A' ' 29' ' ' PHE . 18.2 ttt180 -88.86 111.77 22.46 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -178.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.8 mt -87.87 110.04 20.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.586 -177.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.722 ' HE1' HH11 ' A' ' 27' ' ' ARG . 51.4 m-85 -81.68 118.44 22.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.312 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -89.87 -19.8 24.17 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.685 178.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.563 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -139.42 155.14 23.93 Favored Glycine 0 N--CA 1.44 -1.043 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.944 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.521 HG11 ' HB2' ' A' ' 61' ' ' SER . 18.7 t -68.56 -30.29 46.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.974 0.416 . . . . 0.0 110.605 -176.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -65.23 -37.87 88.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.592 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -62.37 -38.03 88.02 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.068 0.461 . . . . 0.0 110.626 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.595 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -65.23 -48.0 74.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.117 177.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.503 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 80.8 t80 -58.04 -48.37 80.31 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.624 176.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.89 -50.41 73.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.943 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.483 ' HB2' ' NH1' ' A' ' 27' ' ' ARG . 66.8 t80 -59.18 -43.62 92.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.584 -177.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 91.7 mt -58.89 -36.52 74.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.677 -177.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -94.09 -12.5 28.35 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 121.091 -0.243 . . . . 0.0 111.496 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -80.06 -61.7 1.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.015 0.436 . . . . 0.0 110.043 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.427 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 42.7 tt0 -157.63 98.98 1.7 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.946 176.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.596 ' HZ3' HD11 ' A' ' 19' ' ' ILE . 63.4 t-105 -98.7 95.91 3.47 Favored Pre-proline 0 C--N 1.314 -0.942 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.006 173.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 42' ' ' GLU . 73.7 Cg_endo -76.84 -18.04 15.21 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.727 2.285 . . . . 0.0 112.663 -174.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.42 -166.0 1.43 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.444 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -133.65 172.71 12.39 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.27 -30.7 0.3 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.077 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.451 ' OD2' ' HG3' ' A' ' 49' ' ' ARG . 24.8 t70 71.58 -102.2 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 122.755 0.422 . . . . 0.0 110.371 173.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.451 ' HG3' ' OD2' ' A' ' 48' ' ' ASP . 86.2 mtm180 -77.07 -21.86 53.74 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.57 177.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.25 -33.53 75.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.428 0.632 . . . . 0.0 109.344 173.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -66.53 -43.64 84.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.817 174.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -66.05 -42.7 89.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.381 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -56.2 -44.07 79.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.886 177.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.05 -49.82 75.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.574 177.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.465 HD21 ' HB2' ' A' ' 39' ' ' LEU . 57.8 mt -59.08 -51.35 70.41 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.302 178.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -55.5 -47.66 75.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.196 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.2 mt -68.82 -37.67 79.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.237 -178.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.503 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 87.5 m -61.03 -45.15 95.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.667 0.27 . . . . 0.0 110.848 177.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.2 ttp85 -70.33 -34.82 73.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.707 0.289 . . . . 0.0 110.712 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.65 -28.62 67.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.92 0.39 . . . . 0.0 110.912 177.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.521 ' HB2' HG11 ' A' ' 32' ' ' VAL . 38.1 m -70.35 -36.0 73.91 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 174.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.683 HD23 HG12 ' A' ' 11' ' ' VAL . 90.0 mt -66.59 -29.53 69.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.056 176.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 84.9 mtp -73.51 -14.0 61.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.551 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.01 13.12 64.83 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.398 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -91.68 -49.96 6.01 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -178.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.0 t -84.19 128.53 38.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.501 -177.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.41 156.59 35.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.428 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.3 -42.18 81.87 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.777 -0.647 . . . . 0.0 113.313 -175.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -64.36 -48.93 73.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.639 0.257 . . . . 0.0 110.875 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.0 mt -56.16 -48.6 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.751 -178.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.85 -40.73 96.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.153 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.511 ' O ' HG23 ' A' ' 76' ' ' VAL . 10.4 ttt180 -67.99 -52.47 35.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.228 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.9 m -59.04 -39.06 80.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.883 0.373 . . . . 0.0 111.262 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.57 -32.32 71.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.966 178.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -72.41 -30.67 64.85 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 178.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 72' ' ' ARG . 99.5 t -62.3 -42.38 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.066 174.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.17 -37.36 85.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.544 176.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.18 -46.44 73.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.203 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.3 p -70.42 -23.09 62.68 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.926 0.393 . . . . 0.0 110.819 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -61.88 -45.03 95.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.07 174.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -77.75 -25.0 48.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.095 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.56 -58.09 7.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.414 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -173.52 -55.36 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.029 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 46.1 t -155.04 99.35 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.229 0.537 . . . . 0.0 110.678 -174.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.639 ' H ' HD23 ' A' ' 85' ' ' LEU . 2.3 pt? -64.28 143.08 58.16 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.859 172.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.567 ' HB2' ' O ' ' A' ' 18' ' ' THR . 95.2 mmm . . . . . 0 C--N 1.323 -0.586 0 CA-C-O 120.979 0.419 . . . . 0.0 110.878 -179.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 . . . . . 0 CA--C 1.518 -0.258 0 CA-C-O 120.707 0.289 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.673 HG13 ' HB ' ' A' ' 32' ' ' VAL . 7.2 p -126.57 119.71 54.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.542 0.687 . . . . 0.0 110.098 174.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.5 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 96.1 mttt -125.02 165.19 18.61 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.24 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.63 143.79 27.27 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -172.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -80.92 -25.12 37.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.125 172.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -126.54 106.04 23.78 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.038 176.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.88 139.73 84.59 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 123.074 2.516 . . . . 0.0 112.548 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.6 t -96.75 119.22 44.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.835 0.35 . . . . 0.0 110.785 -176.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.3 m -98.16 108.31 20.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.997 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.428 ' CG1' ' HE2' ' A' ' 29' ' ' PHE . 19.7 mm -98.3 114.37 35.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.085 178.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 p -81.36 106.69 13.52 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.306 177.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.9 mt -70.03 167.43 17.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.564 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -65.6 -13.39 58.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.331 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -84.51 6.43 23.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.642 177.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.57 32.83 67.42 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.894 -0.669 . . . . 0.0 111.594 -178.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -119.04 119.0 32.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.519 0.2 . . . . 0.0 111.05 -176.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 6.1 Cg_exo -75.22 108.24 2.66 Favored 'Trans proline' 0 N--CA 1.463 -0.265 0 C-N-CA 123.163 2.575 . . . . 0.0 111.891 176.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -102.85 112.06 24.68 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.3 mt -94.81 128.23 46.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.563 -172.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.428 ' HE2' ' CG1' ' A' ' 19' ' ' ILE . 36.4 m-85 -106.69 141.38 38.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.629 176.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.57 -21.14 13.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.062 0.458 . . . . 0.0 110.667 -177.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.5 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -127.94 157.46 21.1 Favored Glycine 0 N--CA 1.442 -0.924 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.673 ' HB ' HG13 ' A' ' 11' ' ' VAL . 54.5 t -68.6 -30.55 47.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.752 0.31 . . . . 0.0 110.861 -177.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -62.42 -41.04 98.41 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.829 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -59.48 -42.18 91.51 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.248 0.547 . . . . 0.0 110.1 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.538 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -65.65 -47.6 74.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.708 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -60.84 -47.93 84.12 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.938 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -58.3 -47.06 84.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.205 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -55.91 -47.46 77.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.196 178.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 95.5 mt -60.2 -41.25 92.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.445 -178.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -79.81 -26.92 40.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.337 -176.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -79.8 -63.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.115 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -150.82 80.82 1.33 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.313 0.578 . . . . 0.0 111.246 -176.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.526 ' HB2' ' HA ' ' A' ' 39' ' ' LEU . 32.1 t-105 -93.41 112.68 57.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.149 172.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 43' ' ' TRP . 17.8 Cg_exo -69.07 22.99 0.15 Allowed 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.725 2.95 . . . . 0.0 114.466 -175.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.422 ' HB3' ' NE1' ' A' ' 43' ' ' TRP . . . -135.1 115.66 13.68 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 44.4 mtm-85 -107.35 157.33 18.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.416 0.627 . . . . 0.0 111.642 -174.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.444 ' O ' ' HB3' ' A' ' 48' ' ' ASP . . . 170.25 -98.59 0.14 Allowed Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 175.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.444 ' HB3' ' O ' ' A' ' 47' ' ' GLY . 11.9 p-10 175.12 -49.81 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 122.804 0.442 . . . . 0.0 109.876 174.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.553 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 68.8 mtm-85 -62.26 -66.59 0.52 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.705 -178.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.56 74.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.858 0.361 . . . . 0.0 111.277 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.421 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 10.5 t60 -65.0 -44.84 87.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.995 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -67.11 -46.62 73.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.041 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.553 ' HG3' ' O ' ' A' ' 49' ' ' ARG . 96.4 mt-30 -54.67 -51.74 64.53 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 -178.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.81 -41.5 86.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.49 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 51' ' ' HIS . 89.3 mt -66.55 -45.04 80.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.081 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -65.74 -35.97 82.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.678 -177.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 93.6 mt -60.35 -49.23 78.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.678 177.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 44.9 m -67.14 -30.16 70.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.097 0.475 . . . . 0.0 110.743 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.9 ttt85 -70.98 -39.29 72.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.469 176.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.53 -38.4 89.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.436 ' OG ' HG11 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -64.64 -34.81 79.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.557 0.218 . . . . 0.0 111.128 176.807 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.67 HD23 HG12 ' A' ' 11' ' ' VAL . 47.7 mt -67.95 -19.13 64.93 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.109 0.481 . . . . 0.0 110.743 176.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 87.4 mtp -95.72 3.67 53.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.329 178.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.88 28.05 65.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.187 -0.53 . . . . 0.0 112.359 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -98.31 -58.37 1.99 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.137 0.494 . . . . 0.0 109.978 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.6 t -87.52 129.69 38.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.316 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -115.83 116.69 28.45 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -174.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 48.48 -102.88 0.06 OUTLIER Glycine 0 C--N 1.334 0.446 0 CA-C-N 115.264 -0.88 . . . . 0.0 115.269 167.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.468 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 7.6 mm-40 -57.61 -31.98 66.76 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -174.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 59.3 mt -60.53 -47.44 92.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.141 0.496 . . . . 0.0 110.071 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 75' ' ' PHE . . . -70.9 -36.62 72.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.46 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.468 ' HB3' ' HA ' ' A' ' 69' ' ' GLU . 7.6 tpp85 -58.97 -54.36 48.05 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.981 178.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 m -67.93 -35.83 79.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.122 0.487 . . . . 0.0 111.079 -176.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.97 -34.43 66.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.287 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.461 ' CE2' HD11 ' A' ' 39' ' ' LEU . 11.0 t80 -62.89 -40.95 99.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.125 0.488 . . . . 0.0 110.004 179.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 89.4 t -65.54 -37.68 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.525 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.9 -37.4 87.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.2 -40.07 68.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.141 0.496 . . . . 0.0 110.789 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.5 m -75.47 -10.41 59.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.874 -178.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -64.25 -25.84 68.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.121 -178.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -65.45 -26.93 68.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.936 0.398 . . . . 0.0 110.69 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.27 -22.47 25.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.969 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 63.04 24.67 14.63 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.05 177.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 38.3 t -119.25 74.86 1.01 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 84.9 mt -108.21 164.66 12.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.557 -174.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 8.5 mmm . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.145 177.485 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 t70 . . . . . 0 C--O 1.233 0.226 0 CA-C-O 121.311 0.577 . . . . 0.0 110.1 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.0 t -99.28 93.87 3.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.715 177.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.413 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 57.5 mttp -83.41 159.23 21.84 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.583 178.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -100.03 125.84 46.15 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 121.325 0.583 . . . . 0.0 111.257 -175.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -89.29 -19.43 25.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.265 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -128.28 88.53 52.4 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.545 173.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.401 ' HB3' ' O ' ' A' ' 29' ' ' PHE . 17.1 Cg_exo -67.54 171.15 12.32 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 123.41 2.74 . . . . 0.0 113.686 -172.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.9 t -122.28 136.59 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.674 177.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 m -96.92 104.55 16.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.27 -177.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.8 mm -100.4 117.06 45.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 t -89.05 122.5 32.45 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.1 mt -87.11 169.56 12.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.056 -177.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -56.84 -38.88 73.28 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.526 -171.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -70.3 -17.34 63.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.862 0.363 . . . . 0.0 111.487 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.35 38.4 3.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.802 -177.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.3 114.49 40.7 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-O 120.623 0.249 . . . . 0.0 110.643 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -75.32 105.04 2.01 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.959 2.439 . . . . 0.0 111.755 177.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.2 tpt85 -88.67 104.97 17.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.947 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.1 mt -86.34 114.58 26.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.421 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.401 ' O ' ' HB3' ' A' ' 16' ' ' PRO . 88.8 m-85 -83.5 117.76 23.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.214 0.531 . . . . 0.0 111.021 -178.104 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -86.99 -5.28 59.14 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.056 -175.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.413 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -163.04 158.65 31.02 Favored Glycine 0 N--CA 1.443 -0.86 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.721 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.513 HG11 ' HB3' ' A' ' 61' ' ' SER . 24.9 t -67.51 -28.2 41.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.22 0.534 . . . . 0.0 109.898 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.51 ' HA ' HD11 ' A' ' 62' ' ' LEU . 53.6 t80 -59.98 -40.2 88.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.415 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -65.97 -39.21 90.2 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.527 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.563 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -65.36 -48.91 71.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.803 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.481 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 67.1 t80 -58.87 -41.15 86.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.552 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -61.54 -55.26 32.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.554 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -52.51 -49.64 64.4 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.525 -0.762 . . . . 0.0 112.199 -176.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 65.6 mt -57.5 -25.97 60.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.212 -174.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -82.85 -57.84 3.14 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -175.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -76.26 -36.83 58.27 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.539 -0.465 . . . . 0.0 112.095 -174.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.445 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 19.7 tt0 -147.14 76.07 1.4 Allowed 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.498 -0.881 . . . . 0.0 112.228 -176.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -98.01 98.18 5.2 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 165.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.445 ' HD3' ' O ' ' A' ' 42' ' ' GLU . 21.1 Cg_exo -66.58 -16.89 52.18 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.034 2.489 . . . . 0.0 113.459 -173.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.76 174.63 7.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.984 0.421 . . . . 0.0 111.183 -178.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.3 mtm180 -129.7 -173.86 3.14 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.899 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 133.9 -18.38 4.28 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.888 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 69.39 -76.44 0.06 Allowed 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.192 0.597 . . . . 0.0 111.068 175.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.433 ' HA ' ' HB3' ' A' ' 52' ' ' GLU . 20.9 mtm-85 -64.22 -28.97 70.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.804 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.91 93.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.1 0.476 . . . . 0.0 110.409 176.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -74.37 -37.87 63.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.399 177.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.433 ' HB3' ' HA ' ' A' ' 49' ' ' ARG . 31.7 tt0 -56.1 -57.71 11.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.143 175.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.527 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 29.6 tt0 -61.03 -41.25 96.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.889 -178.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.16 -48.88 75.44 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.356 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.81 -45.21 87.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.905 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -55.96 -47.28 77.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.124 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 60.8 mt -62.61 -50.93 69.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.212 -178.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.481 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 60.8 m -64.0 -35.85 82.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.975 -178.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -63.01 -51.66 65.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.673 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.45 -34.14 76.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.285 -178.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.924 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 23.2 t -63.27 -33.69 76.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.15 -178.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' A' ' 33' ' ' TYR . 62.8 mt -96.32 2.57 52.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.593 -176.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 86.8 mtp -130.22 -49.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -173.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -150.25 70.08 0.31 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 119.443 -1.36 . . . . 0.0 114.581 -166.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.8 t70 73.41 85.98 0.11 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 164.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.924 ' HB ' ' HA ' ' A' ' 61' ' ' SER . 24.2 t -138.76 126.31 27.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.631 165.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.43 137.29 52.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.345 177.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.99 -45.62 80.65 Favored Glycine 0 N--CA 1.452 -0.252 0 CA-C-N 115.961 -0.563 . . . . 0.0 113.152 -175.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 72' ' ' ARG . 32.0 tt0 -71.16 -33.95 70.51 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 122.632 -0.334 . . . . 0.0 110.807 -177.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 62.3 mt -67.0 -45.0 88.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.34 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.422 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . . . -53.18 -39.75 63.87 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.097 174.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.428 ' HB3' ' O ' ' A' ' 69' ' ' GLU . 16.6 ttt180 -57.64 -55.15 38.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.072 177.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.0 m -61.22 -41.8 97.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.044 0.45 . . . . 0.0 110.861 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.494 ' HB1' HD13 ' A' ' 57' ' ' LEU . . . -66.0 -37.83 86.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.257 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -65.32 -37.64 87.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.467 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.3 t -66.34 -33.19 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.023 0.439 . . . . 0.0 110.279 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.56 -25.95 63.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 177.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.0 -44.27 15.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.619 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.7 p -77.35 -2.89 37.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.323 0.583 . . . . 0.0 110.667 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.621 ' HA ' HD11 ' A' ' 85' ' ' LEU . 45.2 ttt180 -56.66 -28.7 61.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.805 178.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -90.33 0.71 57.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.475 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.67 -18.01 34.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.56 0.219 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 71.9 5.05 5.24 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.547 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 82.6 m -123.36 76.95 1.44 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.34 0.591 . . . . 0.0 110.326 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.621 HD11 ' HA ' ' A' ' 80' ' ' ARG . 96.4 mt -106.58 127.77 53.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.857 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 93.2 mmm . . . . . 0 C--N 1.319 -0.721 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.771 -175.656 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 N--CA 1.466 0.328 0 CA-C-O 121.415 0.626 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.559 HG21 ' O ' ' A' ' 61' ' ' SER . 62.1 t -124.72 110.36 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.828 176.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -78.31 120.82 23.62 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.114 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.437 ' H ' ' HA2' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -81.88 124.1 29.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.028 -177.497 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -83.39 -20.0 34.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.24 0.543 . . . . 0.0 110.515 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.623 ' HD2' ' HG2' ' A' ' 69' ' ' GLU . 30.2 mtpp -100.23 111.92 63.25 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.409 174.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.15 149.09 46.01 Favored 'Trans proline' 0 C--O 1.238 0.484 0 C-N-CA 122.778 2.319 . . . . 0.0 111.926 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.475 HG22 ' HG3' ' A' ' 72' ' ' ARG . 6.0 t -120.18 88.88 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.221 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 27' ' ' ARG . 25.8 m -78.51 94.3 4.93 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 173.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.778 HD11 ' CZ3' ' A' ' 43' ' ' TRP . 12.2 tt -101.23 118.0 47.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.584 -176.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.428 ' HB3' ' SD ' ' A' ' 86' ' ' MET . 9.5 p -98.06 123.0 41.88 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.751 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.3 mp -94.24 153.58 17.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 177.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -60.37 -19.79 57.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.227 0.536 . . . . 0.0 110.438 177.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -69.92 -18.49 63.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.244 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.81 65.52 1.04 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.918 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -165.59 107.24 0.75 Allowed Pre-proline 0 C--N 1.326 -0.417 0 CA-C-O 120.5 0.19 . . . . 0.0 110.991 -177.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.436 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 7.0 Cg_endo -89.93 105.85 0.36 Allowed 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 123.496 2.798 . . . . 0.0 112.107 174.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.439 ' O ' ' HA ' ' A' ' 18' ' ' THR . 24.6 mtp85 -93.16 160.51 14.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.741 177.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.448 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 60.1 mt -126.33 105.95 15.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.678 175.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -73.32 135.85 44.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.853 0.359 . . . . 0.0 110.707 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -90.75 -15.89 29.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.198 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.437 ' HA2' ' H ' ' A' ' 13' ' ' TRP . . . -163.63 171.93 39.41 Favored Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.212 -178.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.575 HG11 ' HB2' ' A' ' 61' ' ' SER . 28.5 t -67.37 -27.74 39.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.965 0.412 . . . . 0.0 110.806 -177.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -59.61 -44.52 93.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.753 -176.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.45 -49.27 78.46 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.687 176.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.501 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -60.05 -46.95 87.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.742 -175.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -59.57 -45.52 91.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.061 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -69.85 -43.22 72.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.814 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -58.51 -42.89 88.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.25 -177.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.513 ' HA ' ' HB2' ' A' ' 43' ' ' TRP . 95.3 mt -61.14 -34.54 75.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.289 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -76.8 -28.24 55.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.898 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -68.94 -70.15 0.29 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.818 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -162.15 80.44 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.872 0.844 . . . . 0.0 111.361 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.778 ' CZ3' HD11 ' A' ' 19' ' ' ILE . 42.2 t-105 -92.21 116.17 65.99 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.239 173.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.662 ' HD2' ' CE3' ' A' ' 43' ' ' TRP . 68.2 Cg_exo -39.93 -45.76 3.8 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 124.398 3.398 . . . . 0.0 114.746 -175.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.432 ' HB3' ' NE1' ' A' ' 43' ' ' TRP . . . -80.04 103.15 9.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.935 0.397 . . . . 0.0 110.323 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.6 ptt85 -122.16 153.91 38.13 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.765 -175.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.96 -64.97 0.55 Allowed Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 119.848 -1.168 . . . . 0.0 113.779 168.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.469 ' CG ' ' H ' ' A' ' 49' ' ' ARG . 5.0 t70 -103.64 -166.15 1.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.537 0.684 . . . . 0.0 112.052 -164.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.469 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 56.3 mtm180 -68.02 -15.42 63.59 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.111 -0.949 . . . . 0.0 111.806 -173.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.66 -44.48 86.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.007 0.432 . . . . 0.0 110.186 177.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -70.16 -40.77 74.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.573 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -63.85 -48.03 78.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.409 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.587 HE21 ' HG ' ' A' ' 57' ' ' LEU . 25.0 tp60 -64.02 -36.12 82.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.408 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.33 -43.1 92.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.904 0.383 . . . . 0.0 110.336 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.64 -48.53 74.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.621 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -58.41 -44.03 88.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.213 -178.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.587 ' HG ' HE21 ' A' ' 53' ' ' GLN . 89.3 mt -60.44 -50.41 73.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.763 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 63.4 m -62.89 -38.88 92.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.763 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -62.43 -49.39 75.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.582 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.454 ' HB1' ' HB3' ' A' ' 65' ' ' ASP . . . -66.91 -33.25 75.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.012 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.575 ' HB2' HG11 ' A' ' 32' ' ' VAL . 52.5 m -65.3 -36.29 83.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.751 177.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 82.2 mt -68.08 -11.79 59.68 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.832 0.349 . . . . 0.0 111.165 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.4 mmm -106.03 8.94 32.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.322 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.37 21.87 76.12 Favored Glycine 0 C--N 1.332 0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.807 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.454 ' HB3' ' HB1' ' A' ' 60' ' ' ALA . 11.5 t70 -87.36 -48.57 7.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.109 0.48 . . . . 0.0 110.495 -177.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.403 ' HB ' ' OG ' ' A' ' 61' ' ' SER . 72.6 t -90.76 134.59 29.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.463 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.67 148.53 51.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.309 175.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.37 -45.28 89.24 Favored Glycine 0 CA--C 1.518 0.245 0 CA-C-N 115.971 -0.558 . . . . 0.0 113.589 -173.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.623 ' HG2' ' HD2' ' A' ' 15' ' ' LYS . 39.7 mt-10 -68.3 -41.63 80.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.887 0.343 . . . . 0.0 110.957 -177.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 65.3 mt -55.1 -50.2 65.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.893 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.57 91.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.896 -177.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.475 ' HG3' HG22 ' A' ' 17' ' ' VAL . 1.4 ttp180 -71.84 -36.27 70.13 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.585 -172.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.0 m -69.02 -43.64 74.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.869 0.366 . . . . 0.0 110.419 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.28 -29.29 68.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.087 0.47 . . . . 0.0 110.554 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.407 ' CE1' HD12 ' A' ' 19' ' ' ILE . 50.9 t80 -59.71 -45.79 91.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.037 175.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 64.8 t -64.69 -33.08 60.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.546 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.75 98.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.683 176.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.69 -24.74 61.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.145 0.498 . . . . 0.0 110.773 177.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.701 ' HA ' ' HZ2' ' A' ' 43' ' ' TRP . 38.9 m -70.06 -17.83 63.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.02 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.695 ' HG2' HD11 ' A' ' 85' ' ' LEU . 98.3 mtt180 -67.43 -23.06 65.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.357 -176.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -72.56 -24.6 61.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.927 0.394 . . . . 0.0 110.603 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.71 -14.31 58.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.048 0.451 . . . . 0.0 109.944 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 61.56 26.4 16.12 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.323 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 51.3 m -127.16 79.7 1.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.021 177.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.695 HD11 ' HG2' ' A' ' 80' ' ' ARG . 96.3 mt -100.08 135.58 41.29 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.865 -175.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.428 ' SD ' ' HB3' ' A' ' 20' ' ' SER . 80.1 mtp . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.281 170.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 . . . . . 0 C--O 1.234 0.242 0 CA-C-O 121.788 0.804 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.6 t -96.39 139.94 18.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.293 -174.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.0 mtmt -90.8 18.55 6.38 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.097 -176.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.405 ' CZ3' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER 63.83 -172.97 0.17 Allowed 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.231 -179.862 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.699 ' HB2' ' HD2' ' A' ' 15' ' ' LYS . 35.2 mt-10 -110.14 -61.9 1.59 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 171.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.699 ' HD2' ' HB2' ' A' ' 14' ' ' GLU . 5.3 mptt -108.64 122.28 40.7 Favored Pre-proline 0 N--CA 1.448 -0.554 0 CA-C-N 114.4 -1.273 . . . . 0.0 109.11 177.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.32 154.49 46.54 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 123.229 2.619 . . . . 0.0 112.593 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.552 HG22 ' HG3' ' A' ' 72' ' ' ARG . 61.5 t -104.56 127.77 58.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.855 -178.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.3 m -105.56 101.62 11.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.587 175.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' A' ' 26' ' ' PRO . 12.6 tt -98.31 116.08 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.24 0.543 . . . . 0.0 110.415 -176.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.1 t -82.36 119.74 24.54 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.504 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.4 mt -89.3 -177.57 5.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.139 -177.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -59.55 -33.26 71.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.514 . . . . 0.0 112.157 -173.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -85.24 3.99 36.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.585 0.231 . . . . 0.0 111.102 -178.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.26 9.72 81.49 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.037 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.472 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -88.65 116.64 66.85 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 120.487 0.184 . . . . 0.0 110.598 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.51 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 17.7 Cg_endo -90.36 114.91 0.51 Allowed 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.238 2.625 . . . . 0.0 112.732 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -94.74 128.2 41.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.155 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 63.2 mt -101.47 122.31 53.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.481 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -93.68 139.12 31.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.42 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -86.18 -24.49 26.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.694 -177.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.76 -178.86 25.1 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 111.603 -0.599 . . . . 0.0 111.603 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.567 HG11 ' HB3' ' A' ' 61' ' ' SER . 15.7 t -72.98 -29.14 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.763 0.316 . . . . 0.0 110.997 -176.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -62.58 -46.39 88.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.83 -177.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -60.49 -35.56 76.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -67.75 -49.27 63.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.821 178.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.421 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 91.8 t80 -63.37 -38.45 91.18 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.45 178.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -64.9 -44.11 90.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.558 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -59.62 -41.67 90.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.751 178.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 95.2 mt -59.86 -31.1 69.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.247 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -87.24 -32.54 19.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.877 -177.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -94.44 -78.4 0.44 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.861 0.362 . . . . 0.0 111.958 -176.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -107.77 33.41 4.09 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.099 0.778 . . . . 0.0 113.099 -167.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.439 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 76.3 t-105 -64.32 108.4 1.9 Allowed Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 170.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 43' ' ' TRP . 68.8 Cg_endo -94.66 30.01 0.23 Allowed 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 123.494 2.796 . . . . 0.0 114.103 -167.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -150.14 -177.01 5.68 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -92.4 -138.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 174.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.92 -51.34 0.83 Allowed Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 -175.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.468 ' HB3' ' H ' ' A' ' 49' ' ' ARG . 1.5 t70 60.82 -88.7 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 114.039 -1.08 . . . . 0.0 111.424 171.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.468 ' H ' ' HB3' ' A' ' 48' ' ' ASP . 50.3 mmm-85 -64.58 -48.94 73.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.488 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.17 -28.85 68.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.174 0.512 . . . . 0.0 110.758 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.479 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 78.3 t60 -64.43 -40.84 96.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.093 178.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 48' ' ' ASP . 44.6 mt-10 -66.95 -39.71 87.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.841 178.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.508 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 80.2 mt-30 -61.41 -44.46 97.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.344 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.96 -39.93 87.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.916 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 51' ' ' HIS . 96.0 mt -61.24 -46.79 88.94 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 177.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -59.22 -43.89 92.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.516 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 73.2 mt -65.9 -48.66 70.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.318 -177.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.421 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 64.7 m -62.03 -40.63 96.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.733 0.301 . . . . 0.0 110.621 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -65.93 -40.98 91.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.25 -32.67 73.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.032 0.444 . . . . 0.0 110.771 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.567 ' HB3' HG11 ' A' ' 32' ' ' VAL . 22.8 t -69.4 -32.7 71.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.91 176.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.2 mt -73.48 -4.5 34.15 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-O 121.113 0.482 . . . . 0.0 110.849 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 82.3 mtp -100.73 -13.78 18.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.001 174.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.57 0.31 64.83 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.028 -0.606 . . . . 0.0 113.093 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -84.71 -13.84 50.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.012 0.434 . . . . 0.0 111.152 -177.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.498 HG13 ' HB ' ' A' ' 70' ' ' ILE . 86.8 t -113.74 111.39 35.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.856 176.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.65 89.7 6.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.236 -175.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.51 -91.01 0.01 OUTLIER Glycine 0 CA--C 1.522 0.47 0 O-C-N 124.068 0.855 . . . . 0.0 115.151 167.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -43.87 -44.7 7.13 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 123.995 0.918 . . . . 0.0 112.846 -174.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.498 ' HB ' HG13 ' A' ' 66' ' ' VAL . 60.5 mt -55.77 -45.57 79.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.997 0.427 . . . . 0.0 111.327 -177.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.04 -34.16 71.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.552 ' HG3' HG22 ' A' ' 17' ' ' VAL . 13.9 ttp180 -68.91 -49.52 57.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 110.727 -178.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.4 p -65.02 -41.19 95.54 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.208 -178.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.82 -35.12 76.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.363 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -63.43 -42.83 98.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.987 0.422 . . . . 0.0 110.523 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 66.9 t -65.06 -35.07 74.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.296 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.77 -28.29 68.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.028 177.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.24 -36.39 58.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.967 0.413 . . . . 0.0 110.673 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.7 t -70.26 -10.4 58.81 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.32 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -59.11 -43.1 91.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.547 176.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -76.93 -9.37 58.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.22 -177.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.21 -3.92 57.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.11 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 65.39 27.24 11.92 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.778 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 35.7 t -154.98 99.42 2.11 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 121.545 0.688 . . . . 0.0 110.129 -176.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 97.4 mt -103.7 168.15 9.33 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.08 -0.963 . . . . 0.0 109.942 175.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 57.0 ttp . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 121.312 0.577 . . . . 0.0 110.231 177.689 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 CA--C 1.519 -0.221 0 CA-C-O 120.842 0.353 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.706 HG22 HD23 ' A' ' 62' ' ' LEU . 12.0 m -85.45 111.48 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 CA-C-O 121.416 0.626 . . . . 0.0 109.681 177.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.428 ' HD2' ' H ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -82.97 152.28 25.52 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.668 -177.656 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.13 140.96 34.72 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.778 0.323 . . . . 0.0 110.622 -179.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -68.87 -32.13 71.57 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 174.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -133.21 108.88 12.52 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.261 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -50.69 148.92 14.84 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 123.514 2.809 . . . . 0.0 112.901 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.543 HG22 ' HG3' ' A' ' 72' ' ' ARG . 39.3 t -113.21 129.82 68.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.72 -177.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.762 HG22 HG12 ' A' ' 28' ' ' ILE . 2.0 p -99.57 97.58 8.55 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.942 0.401 . . . . 0.0 110.44 176.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.946 HD11 ' HZ3' ' A' ' 43' ' ' TRP . 6.3 tt -88.52 106.27 16.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.69 0.757 . . . . 0.0 109.931 -175.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.487 ' HB3' ' O ' ' A' ' 84' ' ' CYS . 8.5 t -78.5 111.05 14.14 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.857 -176.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.2 mt -87.54 154.88 20.27 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.66 176.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -61.03 -16.39 42.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.208 0.528 . . . . 0.0 110.874 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -64.05 -20.27 65.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.474 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.5 32.68 4.44 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.237 175.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -156.56 122.54 2.52 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 117.037 0.418 . . . . 0.0 111.214 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.687 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 2.0 Cg_endo -84.41 114.36 1.8 Allowed 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.954 2.436 . . . . 0.0 112.027 172.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -83.73 140.07 32.34 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.762 HG12 HG22 ' A' ' 18' ' ' THR . 21.8 mt -96.14 112.52 28.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.495 -177.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -82.96 143.94 30.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.858 0.361 . . . . 0.0 110.396 177.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -97.04 -29.83 13.41 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.312 0.577 . . . . 0.0 109.986 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.62 162.65 28.27 Favored Glycine 0 N--CA 1.44 -1.065 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.575 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.523 HG11 ' HB2' ' A' ' 61' ' ' SER . 7.0 t -68.18 -21.35 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.331 0.586 . . . . 0.0 110.099 -178.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -60.29 -43.99 95.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.293 178.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -66.78 -42.64 85.7 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.346 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.55 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -60.33 -50.82 72.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.907 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.541 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 77.2 t80 -54.33 -47.17 72.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.888 178.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -66.36 -45.66 79.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.307 -177.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -60.24 -39.76 87.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.672 0.273 . . . . 0.0 111.25 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.0 mt -61.74 -23.62 66.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.477 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -89.99 -26.85 20.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.935 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -73.84 -62.94 1.32 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.219 -176.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -160.19 79.0 0.67 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.408 0.623 . . . . 0.0 112.154 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.946 ' HZ3' HD11 ' A' ' 19' ' ' ILE . 60.7 t-105 -84.16 108.54 14.55 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.004 172.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -88.04 33.79 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.243 2.629 . . . . 0.0 113.776 -170.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.478 ' HB3' ' CE2' ' A' ' 43' ' ' TRP . . . -129.74 113.92 15.32 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.963 0.411 . . . . 0.0 110.534 178.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -77.65 130.59 37.03 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.304 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.95 -29.03 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.083 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 72.29 -74.46 0.09 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.977 0.511 . . . . 0.0 112.35 175.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -66.1 -44.25 84.92 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -170.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.64 -37.46 87.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.408 . . . . 0.0 110.528 177.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -68.57 -39.76 80.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.027 177.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -61.51 -44.33 97.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.917 177.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.499 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 8.0 tt0 -62.11 -46.17 90.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.374 177.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.89 -45.32 74.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.589 -178.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.1 mp -62.65 -44.78 95.4 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.762 0.315 . . . . 0.0 110.989 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.6 ttp85 -61.0 -46.38 91.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.704 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 73.2 mt -58.18 -49.37 77.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.844 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.541 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 79.1 m -65.87 -39.94 91.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.423 -176.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -68.31 -40.19 81.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.789 0.328 . . . . 0.0 110.273 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.65 -31.65 72.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.689 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.523 ' HB2' HG11 ' A' ' 32' ' ' VAL . 30.6 m -67.58 -38.15 83.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.181 175.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.706 HD23 HG22 ' A' ' 11' ' ' VAL . 95.0 mt -65.56 -28.63 69.29 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.232 0.539 . . . . 0.0 110.021 176.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 88.1 mtp -81.73 1.03 36.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.668 177.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.94 13.85 80.58 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.645 178.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -85.89 -43.75 12.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.105 0.479 . . . . 0.0 110.436 -175.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.463 HG13 ' HB ' ' A' ' 70' ' ' ILE . 61.8 t -100.53 115.66 42.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.06 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.23 89.65 8.01 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -175.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 63.88 -92.56 0.11 Allowed Glycine 0 CA--C 1.522 0.485 0 N-CA-C 115.259 0.864 . . . . 0.0 115.259 166.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -67.46 -28.9 68.26 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 113.097 0.776 . . . . 0.0 113.097 -167.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.463 ' HB ' HG13 ' A' ' 66' ' ' VAL . 59.0 mt -57.98 -48.95 82.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.403 ' HB2' HG11 ' A' ' 66' ' ' VAL . . . -68.95 -37.02 78.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.423 177.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.543 ' HG3' HG22 ' A' ' 17' ' ' VAL . 31.1 ttt-85 -57.29 -54.16 49.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.898 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.8 m -63.48 -39.85 95.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.252 -177.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.44 -33.62 73.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.025 179.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -66.88 -37.58 84.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.217 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 72' ' ' ARG . 90.4 t -63.02 -41.12 91.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.334 177.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.07 -36.87 85.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.88 72.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.393 176.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.5 m -66.05 -21.25 66.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.735 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.825 ' HG3' HD21 ' A' ' 85' ' ' LEU . 50.9 ttt180 -67.9 -22.44 65.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.84 0.352 . . . . 0.0 110.45 178.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -71.79 -25.71 62.12 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.13 -8.21 57.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.169 175.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 66.52 20.35 10.85 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.112 177.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.487 ' O ' ' HB3' ' A' ' 20' ' ' SER . 56.1 m -135.82 86.19 2.22 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.825 HD21 ' HG3' ' A' ' 80' ' ' ARG . 3.7 mm? -78.24 166.79 22.3 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.645 179.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.627 ' HG2' ' O ' ' A' ' 18' ' ' THR . 65.3 mtm . . . . . 0 C--N 1.332 -0.167 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.804 174.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 . . . . . 0 CA--C 1.514 -0.429 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.1 t -90.21 105.79 16.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -64.59 144.33 57.29 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.006 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -86.8 117.43 25.54 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 172.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -60.35 -33.78 72.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.208 -175.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.9 tttm -125.28 100.22 32.84 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 168.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -46.85 140.58 12.84 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.817 3.011 . . . . 0.0 113.607 -174.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.0 t -101.0 126.28 54.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.665 -178.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.52 ' O ' ' HB2' ' A' ' 86' ' ' MET . 11.9 m -103.66 117.4 34.3 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.732 177.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.664 HD11 ' HZ3' ' A' ' 43' ' ' TRP . 13.3 tt -107.93 149.35 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -177.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.513 ' HB2' ' HG2' ' A' ' 86' ' ' MET . 22.9 t -103.89 104.57 14.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.829 0.347 . . . . 0.0 110.356 -177.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.4 mp -71.2 167.42 19.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.588 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -64.22 -17.9 64.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.407 0.622 . . . . 0.0 109.885 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -64.35 -21.89 66.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.422 176.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.4 33.88 21.51 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -172.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.458 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -129.87 135.45 27.52 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.405 -0.398 . . . . 0.0 110.813 -176.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 2.5 Cg_endo -85.3 118.6 1.96 Allowed 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.291 2.66 . . . . 0.0 111.773 176.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -106.33 126.29 52.05 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 51.6 mt -97.0 117.57 41.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.929 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -91.35 123.85 35.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.823 176.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -91.51 -21.22 21.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.236 0.541 . . . . 0.0 109.766 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -136.96 155.74 22.89 Favored Glycine 0 N--CA 1.443 -0.839 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.369 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.582 HG11 ' HB2' ' A' ' 61' ' ' SER . 46.8 t -62.72 -31.61 52.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.78 0.324 . . . . 0.0 110.913 -178.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -60.93 -42.8 98.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.193 -178.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.23 -42.15 90.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.066 0.46 . . . . 0.0 110.669 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.598 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -72.56 -43.96 62.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.096 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -59.8 -35.06 73.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.965 -178.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -69.19 -46.25 67.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.971 0.415 . . . . 0.0 109.961 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -59.44 -41.94 90.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.503 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 84.6 mt -65.94 -18.4 65.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.072 -176.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -100.84 -0.64 36.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.155 0.502 . . . . 0.0 110.303 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -109.22 -61.65 1.6 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.195 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -140.22 60.69 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.006 -171.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.664 ' HZ3' HD11 ' A' ' 19' ' ' ILE . 75.0 t-105 -81.58 104.08 2.7 Favored Pre-proline 0 C--N 1.329 -0.326 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 168.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -66.57 -38.26 19.6 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 123.216 2.61 . . . . 0.0 114.446 -165.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.648 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . . . -95.2 148.56 22.26 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.05 0.453 . . . . 0.0 111.308 -174.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 46' ' ' ARG . 48.3 mtm180 -81.34 -168.5 1.87 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.731 177.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.429 ' HA3' ' HB3' ' A' ' 50' ' ' ALA . . . 142.32 -18.45 2.48 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.833 -178.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.8 t0 63.63 -81.38 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.031 0.532 . . . . 0.0 111.322 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 68.0 mtp85 -74.07 -20.76 60.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.619 0.247 . . . . 0.0 110.453 178.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.429 ' HB3' ' HA3' ' A' ' 47' ' ' GLY . . . -66.77 -40.71 88.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.217 0.532 . . . . 0.0 109.586 172.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -70.1 -43.56 70.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.218 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -61.5 -43.9 98.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.204 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.45 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 8.6 tt0 -60.57 -40.34 91.3 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.643 0.259 . . . . 0.0 110.826 -178.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.494 ' HB1' HD13 ' A' ' 39' ' ' LEU . . . -57.85 -48.05 80.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.821 178.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.3 mp -70.37 -37.25 74.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.56 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.9 tpp85 -53.21 -52.22 59.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.921 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 64.5 mt -65.57 -48.7 71.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.4 -176.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 63.2 m -64.83 -34.76 79.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.325 -177.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -62.97 -42.28 99.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.886 0.374 . . . . 0.0 110.469 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.87 -26.49 57.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.132 0.491 . . . . 0.0 111.053 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.582 ' HB2' HG11 ' A' ' 32' ' ' VAL . 44.9 m -74.2 -34.34 63.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.4 mt -70.33 -12.72 61.78 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.794 0.331 . . . . 0.0 111.006 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 66.6 mtt -82.05 -14.89 55.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.002 175.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.25 5.77 79.34 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.247 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -82.57 -39.54 22.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.792 0.33 . . . . 0.0 110.853 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.9 t -90.17 124.34 42.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 177.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.09 98.64 10.21 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -172.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.95 -100.72 0.05 OUTLIER Glycine 0 CA--C 1.52 0.348 0 N-CA-C 115.118 0.807 . . . . 0.0 115.118 167.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.41 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 46.5 mt-10 -62.34 -28.11 69.52 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 -172.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 66.0 mt -59.15 -44.65 92.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.18 0.514 . . . . 0.0 109.659 175.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.59 -36.59 76.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.641 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.57 ' O ' HG23 ' A' ' 76' ' ' VAL . 10.1 ttt180 -59.59 -58.12 9.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.936 -179.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.4 m -62.93 -36.78 84.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.384 -176.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.89 -41.87 86.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.624 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -63.12 -38.62 91.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.184 177.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.6 HG13 HD22 ' A' ' 85' ' ' LEU . 92.6 t -60.7 -37.72 76.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.59 177.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.08 89.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.95 0.405 . . . . 0.0 110.935 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.07 -47.91 40.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.973 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.428 ' HB2' ' O ' ' A' ' 84' ' ' CYS . 6.2 p -67.78 -23.6 65.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.764 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -59.58 -45.68 91.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.496 174.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -62.5 -35.01 78.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.538 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.648 ' HB1' ' HB3' ' A' ' 45' ' ' ALA . . . -88.57 -3.64 58.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.351 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 60.23 56.6 3.21 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.371 0.605 . . . . 0.0 111.348 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 79' ' ' SER . 51.0 t -136.73 80.74 1.84 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.216 176.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.6 HD22 HG13 ' A' ' 76' ' ' VAL . 95.1 mt -130.47 136.03 48.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.843 -173.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.52 ' HB2' ' O ' ' A' ' 18' ' ' THR . 86.9 mmm . . . . . 0 C--N 1.323 -0.573 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 169.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.3 t70 . . . . . 0 N--CA 1.464 0.257 0 CA-C-O 121.323 0.582 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.658 HG13 ' HB ' ' A' ' 32' ' ' VAL . 2.7 p -130.32 93.89 2.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.047 172.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.568 ' HE2' ' HB3' ' A' ' 30' ' ' ASN . 41.3 tttm -75.96 141.72 42.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.128 -174.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.415 ' H ' ' HA2' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -77.39 136.01 38.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.412 -173.631 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.452 ' HG2' ' HA3' ' A' ' 68' ' ' GLY . 10.2 pt-20 -64.34 -39.7 94.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.485 173.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 54.8 mttp -128.34 100.66 22.61 Favored Pre-proline 0 N--CA 1.447 -0.605 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.088 178.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -47.64 154.87 1.64 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.937 3.091 . . . . 0.0 113.716 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.562 HG22 ' HG3' ' A' ' 72' ' ' ARG . 53.1 t -126.86 127.89 70.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.243 -172.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.437 HG23 HG12 ' A' ' 28' ' ' ILE . 13.1 m -108.35 126.31 52.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.146 177.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.7 tt -119.0 144.41 27.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.496 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.0 t -104.61 134.82 47.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.771 0.32 . . . . 0.0 110.684 176.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.2 mp -84.54 176.66 8.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.198 172.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -59.46 -29.79 68.06 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -174.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -93.64 1.23 56.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.157 0.503 . . . . 0.0 110.372 -174.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.23 71.9 1.3 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.153 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.35 110.06 8.93 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -74.84 109.24 2.88 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.944 2.429 . . . . 0.0 112.794 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 -100.45 120.67 40.34 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.59 172.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.437 HG12 HG23 ' A' ' 18' ' ' THR . 53.7 mt -106.94 124.69 62.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -177.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -102.49 136.47 42.25 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.932 -178.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.568 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . 28.5 m-80 -84.18 -19.47 34.02 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.415 ' HA2' ' H ' ' A' ' 13' ' ' TRP . . . -158.02 177.69 34.64 Favored Glycine 0 N--CA 1.439 -1.12 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.219 -178.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.658 ' HB ' HG13 ' A' ' 11' ' ' VAL . 47.8 t -62.91 -39.81 86.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 C-N-CA 123.075 0.55 . . . . 0.0 111.077 -176.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -60.26 -41.04 92.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.97 -172.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -64.07 -36.64 84.68 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.48 178.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.6 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -64.88 -43.25 93.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.459 176.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.458 ' HA ' HD12 ' A' ' 39' ' ' LEU . 85.1 t80 -62.95 -43.06 99.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.09 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -66.21 -40.97 90.73 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.417 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -60.21 -45.27 93.75 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.413 175.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 95.0 mt -54.32 -31.6 54.62 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.732 178.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -87.52 -33.0 19.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.196 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -87.32 -90.38 0.12 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.064 -173.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -98.86 24.66 7.41 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -169.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.541 ' HB2' ' HA ' ' A' ' 39' ' ' LEU . 70.4 t-105 -75.24 108.9 6.32 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 174.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -93.39 -0.0 3.43 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.096 2.531 . . . . 0.0 113.652 -173.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 82' ' ' ALA . . . -82.78 105.97 14.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.254 0.55 . . . . 0.0 111.245 -176.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 46' ' ' ARG . 42.4 mtm-85 -80.34 152.56 28.88 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.246 178.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 157.32 -26.53 0.48 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.639 -177.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 t70 73.48 -71.69 0.13 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.674 0.789 . . . . 0.0 111.897 174.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.419 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 78.8 mtm180 -61.64 -50.83 70.94 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 121.281 -0.168 . . . . 0.0 111.264 -178.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.24 -32.58 68.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.284 0.564 . . . . 0.0 110.506 176.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -68.54 -46.53 69.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.354 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -62.88 -37.15 85.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.279 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.525 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 90.2 mt-30 -57.71 -45.28 85.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.741 0.305 . . . . 0.0 110.523 178.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.32 92.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.469 HD12 HD13 ' A' ' 39' ' ' LEU . 10.9 mp -67.26 -41.31 85.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.805 178.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.0 tpt85 -58.95 -42.05 88.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.818 178.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 44.8 mt -64.64 -43.79 92.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.529 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.492 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 84.1 m -68.25 -42.58 79.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.825 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.49 ' O ' ' HG3' ' A' ' 63' ' ' MET . 41.8 ttm180 -62.55 -38.1 88.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.665 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.86 -36.41 83.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.193 0.521 . . . . 0.0 110.609 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.568 ' HB2' HG11 ' A' ' 32' ' ' VAL . 20.1 m -71.9 -35.02 69.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.36 178.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 95.1 mt -67.39 -26.53 66.49 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.355 177.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.49 ' HG3' ' O ' ' A' ' 59' ' ' ARG . 89.7 mtp -69.48 -26.43 64.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.245 0.545 . . . . 0.0 109.697 173.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.49 6.54 57.42 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.439 -0.8 . . . . 0.0 113.318 175.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -106.38 24.92 11.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.501 0.65 . . . . 0.0 110.813 -175.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.454 ' HB ' ' HA ' ' A' ' 61' ' ' SER . 78.6 t -132.59 133.83 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.44 177.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.01 148.88 35.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.849 173.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.452 ' HA3' ' HG2' ' A' ' 14' ' ' GLU . . . -56.73 -49.85 67.5 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 116.114 -0.493 . . . . 0.0 113.736 -172.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -65.77 -25.9 67.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.019 0.41 . . . . 0.0 111.913 -175.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.4 mt -62.2 -52.44 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 176.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.23 -37.09 84.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.125 175.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.562 ' HG3' HG22 ' A' ' 17' ' ' VAL . 38.5 ttp85 -60.03 -48.82 80.15 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.78 0.324 . . . . 0.0 111.03 -179.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.6 m -62.1 -44.84 95.77 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.839 -177.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.74 -27.43 64.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.509 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -69.62 -34.03 73.48 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.982 0.42 . . . . 0.0 110.083 178.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.8 t -67.85 -35.67 73.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.285 0.564 . . . . 0.0 109.802 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.44 90.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.747 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.74 -42.11 82.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.236 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.8 p -71.96 -16.65 62.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.929 0.395 . . . . 0.0 111.156 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 80' ' ' ARG . 41.4 ttt-85 -67.71 -33.08 74.17 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.215 175.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? -64.29 -36.84 85.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.321 0.582 . . . . 0.0 109.752 177.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . . . -77.98 -8.27 57.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.676 176.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 61.34 23.71 13.91 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.727 -177.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 67.7 m -117.78 75.43 0.99 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.374 0.607 . . . . 0.0 110.248 -177.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 97.1 mt -94.54 148.47 22.22 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.458 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 12.5 tpt . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.433 0.635 . . . . 0.0 109.661 177.7 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 121.72 0.771 . . . . 0.0 111.761 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.616 HG23 ' HB ' ' A' ' 32' ' ' VAL . 1.3 m -84.87 110.52 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 168.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -75.05 129.56 37.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.415 -172.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.75 141.4 37.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.426 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -79.25 -64.35 1.21 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 175.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' A' ' 15' ' ' LYS . 21.1 mmtt -99.2 108.48 50.09 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.368 169.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.438 ' HB3' ' HA ' ' A' ' 30' ' ' ASN . 57.3 Cg_endo -70.29 166.66 27.53 Favored 'Trans proline' 0 CA--C 1.528 0.22 0 C-N-CA 123.433 2.755 . . . . 0.0 113.212 -176.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.478 HG22 ' HG3' ' A' ' 72' ' ' ARG . 46.0 t -104.39 132.86 50.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.594 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.8 m -102.67 110.25 22.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.879 0.371 . . . . 0.0 111.038 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.435 ' CG1' ' HE2' ' A' ' 29' ' ' PHE . 29.2 mm -111.48 114.34 46.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.24 177.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.5 p -90.49 123.4 34.15 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.66 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.2 mt -82.95 176.57 9.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.642 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -58.41 -28.96 65.72 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.058 0.456 . . . . 0.0 111.686 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -75.33 -2.46 28.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.337 -177.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.31 26.44 57.39 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.519 -176.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.422 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -105.88 110.58 64.24 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 120.715 0.293 . . . . 0.0 110.546 -178.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 4.8 Cg_exo -78.98 107.92 2.31 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 123.374 2.716 . . . . 0.0 112.183 178.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -88.03 122.42 31.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.68 174.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.1 mt -104.52 109.23 26.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.761 -178.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.573 ' HD1' ' HG2' ' A' ' 34' ' ' GLU . 35.5 m-85 -90.45 111.6 22.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.594 -175.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.438 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 34.1 m-80 -95.4 8.35 43.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.754 -177.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -147.08 141.38 9.33 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 176.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.616 ' HB ' HG23 ' A' ' 11' ' ' VAL . 57.3 t -61.91 -37.22 77.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 117.057 0.428 . . . . 0.0 110.93 -177.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -60.43 -36.7 78.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.857 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.573 ' HG2' ' HD1' ' A' ' 29' ' ' PHE . 85.2 tt0 -63.48 -40.73 97.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.931 0.396 . . . . 0.0 110.303 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.55 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -66.63 -44.64 81.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.353 176.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.444 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 92.9 t80 -58.32 -45.6 87.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.654 178.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -60.76 -47.37 86.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.404 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -56.98 -44.95 83.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.556 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.1 mt -60.61 -30.58 69.92 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.833 -177.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -96.9 -8.86 29.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.814 0.34 . . . . 0.0 111.569 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -93.14 -69.36 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.889 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -144.15 77.31 1.54 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.917 0.389 . . . . 0.0 111.63 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.422 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 61.9 t-105 -82.23 121.65 78.8 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 170.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 43' ' ' TRP . 17.2 Cg_exo -69.2 36.71 0.21 Allowed 'Trans proline' 0 N--CA 1.481 0.776 0 C-N-CA 123.479 2.786 . . . . 0.0 113.637 -178.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -169.36 172.96 6.86 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -75.77 -82.36 0.07 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 172.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.909 ' HA3' ' HB2' ' A' ' 51' ' ' HIS . . . 124.71 -49.17 0.92 Allowed Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.727 171.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.548 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 9.8 m-20 51.9 -120.66 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.905 0.415 . . . . 0.0 110.649 -177.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 49' ' ' ARG . 43.5 ttm180 -56.86 -45.18 82.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.673 0.273 . . . . 0.0 110.864 -178.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.38 84.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -176.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.909 ' HB2' ' HA3' ' A' ' 47' ' ' GLY . 57.9 t-80 -71.19 -44.81 64.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.268 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.622 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 11.0 mm-40 -68.95 -45.34 71.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.865 -177.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.483 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 92.6 mt-30 -56.37 -44.15 79.88 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-O 120.545 0.212 . . . . 0.0 110.757 176.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.3 -45.57 84.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.025 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.41 HD11 ' CE1' ' A' ' 51' ' ' HIS . 94.1 mt -61.72 -43.64 98.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.649 178.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.622 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 73.9 mtp180 -63.75 -39.71 94.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.855 -179.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 83.2 mt -65.21 -42.27 93.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.763 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.444 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 75.3 m -64.41 -38.95 92.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.507 177.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' A' ' 63' ' ' MET . 39.0 mtp85 -67.69 -38.51 83.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.98 179.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.48 -34.33 75.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.149 0.499 . . . . 0.0 110.562 176.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 19.8 m -68.53 -37.8 80.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.41 177.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 88.9 mt -73.09 -6.67 47.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.077 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.464 ' HG3' ' O ' ' A' ' 59' ' ' ARG . 66.7 mtt -98.86 -20.63 16.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.817 178.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.79 5.19 55.38 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.885 -175.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -78.25 -32.37 49.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.42 0.628 . . . . 0.0 109.466 177.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 61' ' ' SER . 48.5 t -125.58 131.77 71.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.306 175.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.54 -30.83 61.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.296 0.57 . . . . 0.0 110.481 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.415 ' H ' HG12 ' A' ' 66' ' ' VAL . . . 135.42 -24.92 3.33 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.802 177.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.429 ' HG3' ' H ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -64.37 -47.98 77.22 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.796 0.331 . . . . 0.0 111.15 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 71.7 mt -66.14 -40.6 87.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.003 0.43 . . . . 0.0 109.962 177.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.9 93.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.978 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.478 ' HG3' HG22 ' A' ' 17' ' ' VAL . 41.1 ttp180 -62.12 -49.39 76.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.985 0.421 . . . . 0.0 110.55 178.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.6 m -61.57 -41.95 98.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.812 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.85 -35.07 74.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.97 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -62.86 -43.96 97.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.342 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.451 ' O ' ' HG3' ' A' ' 80' ' ' ARG . 91.6 t -62.48 -39.91 86.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.074 177.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.73 -37.55 87.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.97 178.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.0 -35.32 64.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.898 0.38 . . . . 0.0 110.878 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 t -66.68 -20.85 66.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.086 0.469 . . . . 0.0 110.274 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.889 ' HG2' HD11 ' A' ' 85' ' ' LEU . 86.5 mtt180 -62.67 -36.26 82.3 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.064 174.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -73.13 -27.13 61.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.118 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.68 -6.32 58.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.896 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 65.29 42.52 3.91 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.811 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.7 t -147.87 92.6 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.158 0.504 . . . . 0.0 109.862 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.889 HD11 ' HG2' ' A' ' 80' ' ' ARG . 90.5 mt -113.89 126.34 55.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.784 178.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 85.8 mmm . . . . . 0 C--N 1.32 -0.693 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.255 172.533 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.9 t70 . . . . . 0 C--O 1.233 0.233 0 CA-C-O 121.332 0.586 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.2 t -80.51 115.84 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 174.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.674 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 57.0 mttp -86.52 154.12 21.33 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.329 0.585 . . . . 0.0 112.083 -173.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.88 151.01 34.05 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.855 -175.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -89.42 -35.14 16.19 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 174.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.49 ' HE2' ' OE1' ' A' ' 69' ' ' GLU . 33.8 mttm -119.86 99.01 49.41 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.239 -0.891 . . . . 0.0 108.631 169.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.28 146.95 87.11 Favored 'Trans proline' 0 N--CA 1.474 0.34 0 C-N-CA 123.223 2.616 . . . . 0.0 113.233 -174.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.479 HG22 ' HG3' ' A' ' 72' ' ' ARG . 47.3 t -100.63 130.72 49.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.493 -178.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.408 ' HB ' ' SD ' ' A' ' 86' ' ' MET . 8.0 m -109.77 106.9 16.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.883 177.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.517 ' O ' ' HA ' ' A' ' 26' ' ' PRO . 8.1 tp -89.04 114.12 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -179.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.591 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 16.9 t -83.84 98.93 10.0 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.056 -177.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.1 mt -82.45 130.24 35.07 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 175.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -44.64 -55.23 5.4 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.842 0.714 . . . . 0.0 111.922 -174.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -116.16 1.18 13.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.559 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.8 -2.34 55.18 Favored Glycine 0 C--O 1.236 0.238 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.505 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.425 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . 74.72 150.64 0.13 Allowed Pre-proline 0 N--CA 1.468 0.436 0 C-N-CA 123.52 0.728 . . . . 0.0 112.098 176.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.591 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 27.4 Cg_exo -62.96 103.78 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.031 2.488 . . . . 0.0 111.477 173.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -99.85 137.96 37.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.605 -178.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.5 mt -96.1 123.31 48.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.929 -174.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -88.58 118.81 28.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.131 175.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -82.37 -38.86 23.56 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.527 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.674 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -125.82 155.11 18.96 Favored Glycine 0 N--CA 1.443 -0.881 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.542 -177.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.52 HG11 ' HB2' ' A' ' 61' ' ' SER . 45.1 t -66.44 -30.95 51.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.033 0.444 . . . . 0.0 109.901 178.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -67.84 -36.47 80.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.761 176.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -64.39 -37.64 88.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.447 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.489 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -69.38 -47.22 64.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.478 175.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -55.43 -42.47 74.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.538 177.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -59.8 -46.49 89.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.886 177.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -61.07 -40.62 94.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.995 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.0 mt -60.37 -37.96 82.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.578 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -85.41 -15.38 43.25 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -75.54 -64.33 1.09 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 174.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -174.84 92.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.172 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -73.98 136.26 76.62 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.679 171.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.439 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 23.9 Cg_endo -61.84 109.8 0.86 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.898 2.399 . . . . 0.0 112.887 177.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 44' ' ' PRO . . . 89.86 175.99 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.93 1.292 . . . . 0.0 111.251 177.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -134.34 -175.87 4.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.298 -174.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 164.82 -98.39 0.15 Allowed Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 175.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.468 ' CG ' ' H ' ' A' ' 49' ' ' ARG . 36.7 p-10 -172.44 -79.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.648 0.261 . . . . 0.0 111.151 177.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.468 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 3.9 mtt180 -76.87 -25.75 53.44 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.507 -170.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.4 -37.32 85.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.247 0.546 . . . . 0.0 110.106 175.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -79.14 -40.61 30.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.674 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.414 ' HB2' ' HA ' ' A' ' 49' ' ' ARG . 66.5 mm-40 -62.16 -53.5 54.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.973 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -64.87 -36.39 84.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.054 -177.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.13 -47.39 81.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.874 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.21 -42.55 88.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.81 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 66.2 mtt85 -61.98 -46.46 89.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.276 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.89 -39.3 90.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.924 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.584 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 75.0 m -63.97 -44.97 91.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.739 0.304 . . . . 0.0 110.365 176.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -58.45 -48.89 79.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.796 178.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.95 -36.82 77.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.113 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.52 ' HB2' HG11 ' A' ' 32' ' ' VAL . 22.6 m -66.55 -41.98 87.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.379 177.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 71.3 mt -71.4 -15.55 62.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.886 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 85.1 mtp -97.73 5.62 49.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.803 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.55 8.23 87.72 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.211 -0.519 . . . . 0.0 113.348 176.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -88.94 -21.02 23.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.944 0.402 . . . . 0.0 110.708 -177.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.1 t -124.76 136.73 59.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.519 175.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.68 -32.13 65.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.35 . . . . 0.0 111.483 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 137.27 -47.98 0.93 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.114 -1.041 . . . . 0.0 113.232 174.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.498 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 36.9 mt-10 -63.03 -29.75 71.06 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -175.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 72.1 mt -57.85 -45.38 87.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.129 0.49 . . . . 0.0 110.107 174.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.85 -30.48 65.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.524 178.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.498 ' HB3' ' HA ' ' A' ' 69' ' ' GLU . 11.9 ttt85 -60.79 -54.11 49.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 177.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.5 m -63.7 -35.0 79.11 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.109 0.481 . . . . 0.0 110.816 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.03 -30.97 65.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.194 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -62.32 -43.01 99.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.213 0.53 . . . . 0.0 109.63 178.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 82.9 t -63.39 -39.82 86.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.424 176.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.87 -39.76 94.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.937 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.85 -32.31 72.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.005 0.431 . . . . 0.0 110.733 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.0 m -69.23 -13.13 62.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.066 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -68.38 -34.47 76.09 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.187 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -65.58 -34.57 78.55 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.111 0.481 . . . . 0.0 110.371 178.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.52 -13.19 57.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.357 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 61.75 20.41 11.37 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.444 -177.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.2 t -103.43 60.79 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.314 0.578 . . . . 0.0 110.386 -173.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.0 mt -88.43 140.47 29.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.317 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.408 ' SD ' ' HB ' ' A' ' 18' ' ' THR . 56.7 ttp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.583 -178.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 CA--C 1.516 -0.359 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.0 t -82.5 111.43 18.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.587 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 87.2 tttt -67.24 136.27 54.7 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.127 -175.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.73 144.21 55.54 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.861 175.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -58.41 -44.16 88.94 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.474 ' HD2' ' HA ' ' A' ' 15' ' ' LYS . 7.7 tptm -131.56 108.75 14.57 Favored Pre-proline 0 N--CA 1.446 -0.639 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.723 171.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -49.51 151.7 6.94 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 124.232 3.288 . . . . 0.0 113.937 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.3 t -105.87 139.17 27.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.972 -176.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.8 m -101.1 117.83 35.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.667 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.1 mm -105.34 125.6 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.471 177.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.9 m -86.47 96.63 10.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.006 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.91 149.36 47.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.342 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -70.41 8.93 0.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.863 -178.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -109.06 9.66 26.26 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.42 50.03 8.67 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.0 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -140.94 114.58 7.09 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.708 0.29 . . . . 0.0 111.48 -177.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.88 94.36 1.06 Allowed 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 123.105 2.537 . . . . 0.0 111.627 175.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -90.11 116.63 28.27 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.018 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.4 mt -98.9 120.91 48.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.317 -177.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -95.91 120.7 36.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.253 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -80.08 -45.35 18.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.125 0.488 . . . . 0.0 109.861 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.587 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -111.7 160.4 13.23 Favored Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.915 -174.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.509 HG11 ' HB3' ' A' ' 61' ' ' SER . 61.8 t -67.44 -32.46 57.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.401 -0.4 . . . . 0.0 111.072 -178.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -73.13 -36.8 66.77 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.169 -177.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -57.25 -46.46 83.01 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.135 0.493 . . . . 0.0 110.127 177.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.531 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -67.18 -46.45 73.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.849 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.497 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 49.1 t80 -57.76 -43.14 85.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.96 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -66.61 -43.48 84.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.584 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.73 -43.4 94.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.317 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.3 mt -58.17 -29.33 65.52 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.461 -178.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -88.93 -34.36 16.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.286 -177.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -75.11 -73.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.127 -178.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -140.08 76.97 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.209 0.528 . . . . 0.0 112.036 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -86.74 123.09 71.23 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 168.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -34.75 -64.72 0.14 Allowed 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 124.352 3.368 . . . . 0.0 114.494 -174.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.29 110.03 8.1 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 74.2 mtt85 -51.17 -81.61 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.734 0.646 . . . . 0.0 112.074 -174.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.52 -98.25 0.56 Allowed Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 120.159 -1.02 . . . . 0.0 112.973 174.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -168.96 -143.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.348 -0.426 . . . . 0.0 109.954 -173.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -51.7 -33.35 33.92 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 122.981 0.512 . . . . 0.0 111.43 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.94 -35.9 77.95 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.829 0.347 . . . . 0.0 111.469 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -74.89 -38.29 61.91 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -66.21 -38.72 88.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.044 178.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.518 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 26.5 tt0 -56.39 -49.94 73.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.657 175.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.41 -38.2 76.89 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.002 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.83 -48.84 72.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.59 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 56' ' ' ARG . 52.7 mtm-85 -61.88 -41.83 98.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.315 -179.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 92.7 mt -56.52 -50.35 72.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.837 178.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.497 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 57.1 m -67.74 -41.73 82.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.629 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -61.48 -46.53 89.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.977 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.429 ' HB1' ' HB3' ' A' ' 65' ' ' ASP . . . -76.93 -23.75 52.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.41 -178.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.509 ' HB3' HG11 ' A' ' 32' ' ' VAL . 14.5 t -67.74 -38.09 83.03 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.9 mt -68.5 -27.04 65.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.228 0.537 . . . . 0.0 110.452 177.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 51.4 ttm -79.62 -9.36 59.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.398 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.65 10.16 73.63 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.21 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.429 ' HB3' ' HB1' ' A' ' 60' ' ' ALA . 36.5 t70 -85.16 -48.91 8.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.055 0.455 . . . . 0.0 110.212 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.43 HG12 ' H ' ' A' ' 68' ' ' GLY . 63.1 t -88.66 127.72 41.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.668 175.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.07 20.44 0.14 Allowed 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -175.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.43 ' H ' HG12 ' A' ' 66' ' ' VAL . . . 77.02 -55.23 3.52 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 121.175 -0.536 . . . . 0.0 113.582 175.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -56.23 -47.9 77.55 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.555 0.342 . . . . 0.0 111.372 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 62.3 mt -59.88 -38.4 76.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.854 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.409 ' HB2' HG11 ' A' ' 66' ' ' VAL . . . -65.21 -37.5 87.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.837 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.9 ttm105 -61.79 -50.3 72.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.816 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.9 m -59.95 -48.64 80.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.309 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.46 -25.07 61.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.36 -177.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -64.87 -49.75 69.31 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 175.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.457 ' O ' ' HG3' ' A' ' 80' ' ' ARG . 93.8 t -61.41 -43.59 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.155 177.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.41 -39.2 75.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.405 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.0 -39.61 63.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.108 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.6 p -69.0 -12.53 61.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.805 -178.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.586 ' HG2' HD11 ' A' ' 85' ' ' LEU . 82.7 mtt-85 -65.3 -33.04 75.04 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.778 0.323 . . . . 0.0 110.2 177.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -62.57 -40.35 96.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.766 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.27 -8.06 58.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 61.25 25.91 15.83 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.98 -177.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.8 t -89.13 26.0 1.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.78 0.8 . . . . 0.0 109.571 -178.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.586 HD11 ' HG2' ' A' ' 80' ' ' ARG . 88.4 mt -76.2 154.17 35.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.997 -174.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 7.2 tmm? . . . . . 0 C--N 1.32 -0.701 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 166.506 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.4 t70 . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 121.146 0.498 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.401 ' O ' HG23 ' A' ' 32' ' ' VAL . 62.0 t -89.96 134.75 28.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -177.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.555 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 13.4 mptt -86.89 150.41 24.12 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.877 -178.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.06 158.51 21.41 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.575 178.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -80.91 -59.67 2.58 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 175.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.2 mmtm -93.71 129.2 39.0 Favored Pre-proline 0 N--CA 1.45 -0.461 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.728 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.16 143.3 99.54 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 123.198 2.598 . . . . 0.0 112.804 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.466 HG22 ' HG3' ' A' ' 72' ' ' ARG . 61.8 t -109.32 109.61 29.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.238 179.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.407 HG23 HG12 ' A' ' 28' ' ' ILE . 11.9 m -98.86 112.4 24.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.181 -177.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.1 mm -99.76 115.34 40.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.272 177.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.436 ' HB3' ' HG2' ' A' ' 86' ' ' MET . 5.4 p -89.37 94.76 10.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.135 0.493 . . . . 0.0 110.397 177.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.413 HD21 ' HZ ' ' A' ' 38' ' ' PHE . 94.0 mt -75.88 162.67 27.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.801 -178.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -75.57 8.44 2.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.092 -172.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -92.24 -5.34 52.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.656 173.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.61 46.59 7.23 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -174.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.97 112.28 10.42 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.681 0.277 . . . . 0.0 110.851 -177.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -82.11 94.08 0.91 Allowed 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.721 2.28 . . . . 0.0 111.526 174.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -89.04 114.9 26.16 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.142 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.407 HG12 HG23 ' A' ' 18' ' ' THR . 39.3 mt -96.54 116.69 39.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.273 -178.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -87.25 149.9 24.26 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.686 -178.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -115.59 -33.99 5.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.455 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.555 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -110.71 158.19 14.54 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.152 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.536 HG11 ' HB3' ' A' ' 61' ' ' SER . 44.9 t -79.35 -36.43 17.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.611 0.244 . . . . 0.0 111.074 -179.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -73.97 -37.37 64.51 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.827 -176.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.408 ' CD ' ' H ' ' A' ' 31' ' ' GLY . 8.4 pt-20 -63.85 -28.38 69.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.873 0.368 . . . . 0.0 110.396 176.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.532 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -75.84 -43.62 44.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.198 174.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.452 ' HA ' HD12 ' A' ' 39' ' ' LEU . 90.3 t80 -55.62 -46.17 77.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.762 175.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.53 -42.75 99.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.551 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.413 ' HZ ' HD21 ' A' ' 21' ' ' LEU . 70.3 t80 -57.9 -46.33 85.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.791 176.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 84.2 mt -57.35 -41.82 80.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.631 -178.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -67.6 -44.06 79.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.236 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -75.66 -44.45 42.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.887 -173.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -158.8 77.89 0.76 Allowed 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.004 -0.678 . . . . 0.0 112.335 -175.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.507 ' HB2' ' HA ' ' A' ' 39' ' ' LEU . 65.6 t-105 -108.73 119.94 47.65 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 168.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -45.63 -34.91 12.07 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.861 3.041 . . . . 0.0 113.982 -175.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.31 101.21 9.63 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 175.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 46' ' ' ARG . 52.3 mtt85 -99.3 83.02 2.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.597 -173.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.92 -23.41 6.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 119.674 -1.25 . . . . 0.0 114.406 170.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -69.24 163.49 24.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.97 0.414 . . . . 0.0 111.2 -173.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.489 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 0.9 OUTLIER -52.39 -36.28 53.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.879 175.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.03 -37.19 71.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.033 0.444 . . . . 0.0 110.547 177.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -71.52 -46.79 58.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.707 177.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -59.36 -47.08 86.76 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.809 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' ' 49' ' ' ARG . 89.9 mt-30 -60.37 -48.0 83.65 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.711 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.26 -50.03 62.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.387 -177.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.3 -49.08 73.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.531 -179.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -68.55 -37.65 80.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.184 -173.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.0 mt -69.71 -38.12 76.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.868 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.61 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 89.4 m -63.05 -41.73 99.55 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 175.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.443 ' O ' ' HG3' ' A' ' 63' ' ' MET . 39.8 ttm180 -62.38 -44.36 96.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.744 176.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.43 -28.05 69.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.065 0.459 . . . . 0.0 110.743 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.536 ' HB3' HG11 ' A' ' 32' ' ' VAL . 14.0 t -72.58 -42.01 65.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.826 175.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 60.1 mt -62.18 -38.58 89.6 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.493 177.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.443 ' HG3' ' O ' ' A' ' 59' ' ' ARG . 93.2 mtp -69.66 -19.53 63.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.898 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.25 23.16 10.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.972 -0.633 . . . . 0.0 113.286 175.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -104.37 -40.02 6.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.427 -0.455 . . . . 0.0 111.128 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.4 t -94.35 115.31 32.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 176.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.51 91.55 4.96 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -174.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.18 -87.83 0.03 OUTLIER Glycine 0 CA--C 1.522 0.49 0 N-CA-C 115.043 0.777 . . . . 0.0 115.043 168.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -52.27 -43.91 64.67 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.553 0.741 . . . . 0.0 112.352 -171.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.447 HD12 ' H ' ' A' ' 70' ' ' ILE . 3.1 mp -61.12 -45.26 98.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.973 0.416 . . . . 0.0 110.513 -178.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.57 -38.83 84.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.94 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.47 ' O ' HG23 ' A' ' 76' ' ' VAL . 37.9 ttp180 -61.96 -47.81 83.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.624 -178.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 m -65.49 -41.16 93.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.255 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.68 -35.03 78.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.778 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.473 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 5.3 t80 -63.39 -47.55 81.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.712 177.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 72' ' ' ARG . 86.5 t -60.35 -38.03 76.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.983 178.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.01 -34.96 75.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.9 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.55 -42.87 58.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.283 176.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.4 m -60.9 -28.35 68.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.405 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.534 ' HG2' HD11 ' A' ' 85' ' ' LEU . 57.8 mtp180 -59.23 -43.28 92.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.9 0.381 . . . . 0.0 111.333 177.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -73.96 -17.7 60.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.803 -176.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.6 -10.45 25.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.429 175.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 65.33 30.14 11.23 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.233 -178.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 66.0 m -103.86 66.35 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.407 0.622 . . . . 0.0 109.862 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.534 HD11 ' HG2' ' A' ' 80' ' ' ARG . 88.8 mt -108.31 140.69 41.22 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.549 -175.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.436 ' HG2' ' HB3' ' A' ' 20' ' ' SER . 8.9 mmm . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.846 176.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.3 t -106.57 139.57 27.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.13 -178.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.533 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 58.1 mttp -95.25 153.71 17.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.072 0.463 . . . . 0.0 111.176 179.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.43 141.05 29.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.611 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -70.71 -40.91 72.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.243 0.544 . . . . 0.0 110.008 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.557 ' HB2' ' HD2' ' A' ' 72' ' ' ARG . 74.5 mmtt -109.7 122.77 38.25 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.122 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 15' ' ' LYS . 15.9 Cg_exo -67.81 142.81 58.91 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.794 2.329 . . . . 0.0 112.631 -179.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.7 t -118.15 122.76 70.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.478 175.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.654 ' HB ' ' HG2' ' A' ' 86' ' ' MET . 23.6 m -108.01 96.21 6.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.22 0.533 . . . . 0.0 110.774 -176.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.425 ' CG1' ' HE2' ' A' ' 29' ' ' PHE . 16.0 mm -88.75 104.52 14.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -176.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.706 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 0.5 OUTLIER -86.73 99.82 12.05 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.847 177.634 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.6 mt -76.42 168.15 20.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.586 -174.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -66.1 -11.15 46.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.642 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -70.21 -14.07 62.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.394 175.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.51 31.17 11.86 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.112 -0.566 . . . . 0.0 112.499 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.456 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -144.47 119.61 5.99 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.667 0.27 . . . . 0.0 111.472 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.706 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 6.8 Cg_exo -75.65 110.16 3.04 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 123.288 2.658 . . . . 0.0 112.089 173.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -95.05 114.86 26.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.215 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.7 mt -85.17 119.9 34.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.401 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.425 ' HE2' ' CG1' ' A' ' 19' ' ' ILE . 66.0 m-85 -100.12 109.47 21.75 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.891 176.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -100.55 -10.7 20.76 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 175.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.533 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -115.18 133.7 11.14 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 175.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.513 HG11 ' HB2' ' A' ' 61' ' ' SER . 37.7 t -69.21 -35.74 69.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.966 0.412 . . . . 0.0 110.605 -177.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -66.09 -36.85 84.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.386 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.417 ' OE2' ' HA3' ' A' ' 31' ' ' GLY . 14.0 mt-10 -62.58 -40.98 98.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.839 177.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.482 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -72.3 -34.93 68.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 178.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -57.09 -51.59 68.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.56 177.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.97 -40.66 96.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.837 177.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -57.84 -46.06 85.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.046 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 97.6 mt -63.1 -36.28 83.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.53 -179.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -78.71 -36.69 43.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.798 -178.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -62.37 -67.25 0.43 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.69 -176.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -164.64 89.57 0.51 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.288 0.566 . . . . 0.0 111.934 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 65.8 t-105 -85.74 136.51 36.75 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 164.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.4 14.54 0.14 Allowed 'Trans proline' 0 N--CA 1.479 0.624 0 C-N-CA 123.091 2.527 . . . . 0.0 114.18 -176.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.4 70.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.277 0.56 . . . . 0.0 109.501 177.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 46' ' ' ARG . 14.7 ptt-85 -104.2 138.52 40.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.502 -177.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.81 -18.18 7.15 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 -176.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -87.14 145.71 26.32 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.301 -0.449 . . . . 0.0 110.51 -177.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -71.71 -17.18 62.23 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -173.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.52 -40.42 23.2 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -59.91 -37.03 78.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.88 171.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -77.11 -31.6 55.95 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.522 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -54.54 -47.19 73.47 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 174.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.46 -44.35 87.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.588 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.5 tp -59.95 -45.53 92.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.241 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -61.51 -40.62 95.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.643 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.465 HD12 ' HB3' ' A' ' 74' ' ' ALA . 80.5 mt -69.47 -35.68 75.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.012 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.653 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 71.9 m -60.02 -43.29 95.38 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 176.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.7 ttt180 -62.73 -45.56 92.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.0 176.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.89 -27.41 67.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.498 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.513 ' HB2' HG11 ' A' ' 32' ' ' VAL . 49.6 m -69.36 -36.99 77.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.915 0.388 . . . . 0.0 109.98 176.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 41.1 mt -68.52 -20.38 64.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.535 0.683 . . . . 0.0 109.832 177.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 76.4 mtp -88.65 -1.93 58.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.438 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.75 19.31 77.97 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.384 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -95.13 -33.19 12.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.13 0.49 . . . . 0.0 110.765 -176.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.524 HG13 ' HB ' ' A' ' 70' ' ' ILE . 93.2 t -111.04 110.59 32.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.091 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.47 89.7 7.77 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -175.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.48 -93.96 0.07 OUTLIER Glycine 0 CA--C 1.523 0.539 0 N-CA-C 115.539 0.976 . . . . 0.0 115.539 166.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.486 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 38.4 tt0 -58.37 -29.14 65.78 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -169.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.524 ' HB ' HG13 ' A' ' 66' ' ' VAL . 59.7 mt -60.63 -51.17 76.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.292 0.567 . . . . 0.0 109.964 177.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.02 85.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.09 176.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.557 ' HD2' ' HB2' ' A' ' 15' ' ' LYS . 16.7 ttt180 -55.49 -51.21 67.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.7 176.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 m -54.43 -46.76 73.3 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.973 -177.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.465 ' HB3' HD12 ' A' ' 57' ' ' LEU . . . -76.41 -30.92 57.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.621 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -64.5 -42.42 95.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.107 0.48 . . . . 0.0 109.783 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 72' ' ' ARG . 95.9 t -64.15 -39.17 84.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.056 176.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.52 -43.29 89.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.955 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.18 -38.85 82.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.99 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.5 m -69.24 -20.19 63.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.064 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -58.74 -36.54 74.49 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.038 0.447 . . . . 0.0 110.558 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -71.53 -16.43 62.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.105 -177.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.68 -4.89 58.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.237 176.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 59.8 m80 60.99 26.94 16.86 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.441 177.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.5 t -140.38 87.32 2.13 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.8 mt -97.44 122.71 40.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.632 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.654 ' HG2' ' HB ' ' A' ' 18' ' ' THR . 49.1 ttm . . . . . 0 C--N 1.317 -0.836 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.673 -178.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 121.285 0.564 . . . . 0.0 110.147 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.3 t -103.99 116.33 47.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.38 -177.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -67.98 128.44 36.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.912 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.563 ' HB3' ' HB3' ' A' ' 16' ' ' PRO . 1.0 OUTLIER -89.8 104.07 16.67 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.151 -176.508 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -65.29 -51.53 60.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.27 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.445 ' HD2' ' HG2' ' A' ' 69' ' ' GLU . 95.6 mttt -112.88 84.37 6.73 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 174.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.563 ' HB3' ' HB3' ' A' ' 13' ' ' TRP . 98.1 Cg_endo -83.38 -173.45 1.65 Allowed 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.97 2.447 . . . . 0.0 113.194 -170.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.543 HG22 ' HG3' ' A' ' 72' ' ' ARG . 88.8 t -113.73 120.38 63.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.543 178.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.2 m -88.54 94.75 9.98 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 170.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.3 tt -88.8 111.43 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-O 121.56 0.695 . . . . 0.0 110.14 -170.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.473 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 19.2 m -83.6 99.83 10.43 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.788 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.9 mp -61.72 155.91 21.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.213 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.57 -15.19 25.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.194 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -81.55 4.45 21.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.021 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.54 37.2 36.04 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.217 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -133.46 109.51 12.35 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 120.683 0.278 . . . . 0.0 111.17 -177.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.473 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 5.8 Cg_exo -80.44 112.62 2.76 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 123.189 2.593 . . . . 0.0 112.064 176.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -97.62 120.75 38.56 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.367 176.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.5 mt -88.83 118.89 35.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.282 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -77.69 129.03 35.02 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.483 177.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -86.33 -27.24 24.43 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.404 0.621 . . . . 0.0 109.999 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.38 163.99 28.41 Favored Glycine 0 N--CA 1.441 -0.985 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.57 HG11 ' HB3' ' A' ' 61' ' ' SER . 26.1 t -68.0 -30.22 47.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 -177.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -66.71 -37.67 85.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 110.254 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -61.17 -36.82 80.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.242 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.592 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -67.3 -49.81 62.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.62 176.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.442 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 90.4 t80 -55.99 -45.54 78.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.916 178.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -65.3 -44.18 88.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.032 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -59.47 -37.12 77.4 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.818 0.342 . . . . 0.0 111.131 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 94.5 mt -64.36 -30.13 71.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.16 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -84.0 -21.62 31.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.628 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -78.8 -73.78 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -146.56 75.79 1.41 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.02 0.438 . . . . 0.0 111.587 -176.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.481 ' CE3' ' HD2' ' A' ' 44' ' ' PRO . 64.0 t-105 -86.46 126.1 65.44 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 170.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.481 ' HD2' ' CE3' ' A' ' 43' ' ' TRP . 55.7 Cg_exo -35.65 -60.61 0.32 Allowed 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 124.256 3.304 . . . . 0.0 114.461 -175.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -115.83 93.98 4.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.926 0.393 . . . . 0.0 111.172 -178.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 43' ' ' TRP . 90.8 mtm180 -97.65 143.56 28.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.076 -179.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.07 -32.49 3.96 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.832 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -90.35 -171.83 3.23 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.502 0.668 . . . . 0.0 111.376 -174.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.8 mtt85 -69.33 -33.21 72.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.73 -176.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.3 -54.38 47.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.019 -178.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.438 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 34.6 t-80 -59.42 -41.76 90.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.776 177.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -63.21 -53.8 47.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.712 -177.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.525 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 86.0 mt-30 -68.8 -31.74 70.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.041 -176.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.414 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -60.37 -38.44 83.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 110.257 175.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 51' ' ' HIS . 94.7 mt -64.17 -48.41 76.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.176 175.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -57.04 -45.61 83.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.214 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 58.3 mt -57.05 -49.79 74.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.571 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 41.3 m -69.12 -41.69 77.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.784 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.1 ttt-85 -59.73 -47.76 84.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.801 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.449 ' HB1' ' HB3' ' A' ' 65' ' ' ASP . . . -65.0 -36.57 84.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.731 178.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.57 ' HB3' HG11 ' A' ' 32' ' ' VAL . 12.6 t -64.6 -32.84 74.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.345 179.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 92.6 mt -73.69 -14.95 61.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.178 0.513 . . . . 0.0 110.945 178.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.5 mmm -94.75 -4.48 47.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.81 175.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.52 12.52 64.67 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.391 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.449 ' HB3' ' HB1' ' A' ' 60' ' ' ALA . 28.6 t70 -79.77 -34.67 39.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.04 0.448 . . . . 0.0 110.596 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.494 HG13 ' HB ' ' A' ' 70' ' ' ILE . 63.0 t -107.14 132.18 55.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.291 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.68 27.89 0.35 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.422 ' H ' HG12 ' A' ' 66' ' ' VAL . . . 78.19 -57.16 4.03 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.797 175.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.445 ' HG2' ' HD2' ' A' ' 15' ' ' LYS . 44.4 mt-10 -58.29 -44.41 88.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.753 0.311 . . . . 0.0 111.57 -176.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.494 ' HB ' HG13 ' A' ' 66' ' ' VAL . 71.8 mt -60.62 -35.89 66.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.745 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.79 95.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.647 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.543 ' HG3' HG22 ' A' ' 17' ' ' VAL . 25.5 ttt180 -60.94 -52.88 63.15 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.693 0.282 . . . . 0.0 110.847 178.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.9 m -59.41 -50.05 75.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.351 -176.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.15 -26.92 65.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.361 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.452 ' CE1' HD21 ' A' ' 39' ' ' LEU . 69.4 t80 -68.82 -44.04 74.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.217 178.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 72' ' ' ARG . 73.1 t -61.39 -38.89 81.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.274 178.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.11 94.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.832 177.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.48 -35.74 68.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.778 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.6 m -62.23 -25.26 67.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.028 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.721 ' HG3' HD11 ' A' ' 85' ' ' LEU . 77.3 ttt180 -62.72 -37.39 86.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -71.12 -13.08 61.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.675 -176.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -107.81 2.47 23.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.514 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.2 m80 61.09 21.13 11.56 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.478 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 9.7 t -98.77 62.12 1.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.721 HD11 ' HG3' ' A' ' 80' ' ' ARG . 73.4 mt -103.93 131.5 51.1 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -172.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 52.6 ttp . . . . . 0 C--N 1.323 -0.558 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 164.658 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 121.907 0.86 . . . . 0.0 109.954 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.0 t -89.9 112.5 24.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.844 -177.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.557 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 95.0 mttt -100.81 159.25 15.35 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 120.935 0.398 . . . . 0.0 111.415 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.86 -174.72 4.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.194 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -58.39 -65.28 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.291 175.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.554 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . 83.8 tttt 174.13 -56.86 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.133 -177.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.554 ' HD3' ' HB3' ' A' ' 15' ' ' LYS . 96.3 Cg_endo -80.27 78.98 3.47 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.828 1.686 . . . . 0.0 113.383 -175.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.505 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 24.2 t -116.56 87.04 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 173.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.569 HG23 HG12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -103.54 111.0 23.26 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.517 -174.635 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.626 ' O ' ' HA ' ' A' ' 26' ' ' PRO . 10.7 tt -102.17 137.84 28.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.743 178.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.532 ' HB3' ' O ' ' A' ' 84' ' ' CYS . 12.5 t -118.31 138.68 52.22 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.971 0.415 . . . . 0.0 109.91 -178.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.434 HD23 ' HG3' ' A' ' 44' ' ' PRO . 10.3 mp -118.05 171.71 7.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.574 -178.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -66.85 -14.87 63.18 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.166 0.507 . . . . 0.0 110.654 178.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -78.55 -2.1 37.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.65 177.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.71 49.01 52.57 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.376 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.06 100.36 7.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 120.685 0.279 . . . . 0.0 111.425 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.626 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 6.2 Cg_exo -79.93 116.77 3.47 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 123.368 2.712 . . . . 0.0 111.461 174.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' A' ' 18' ' ' THR . 63.0 mtt85 -113.5 143.58 44.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.277 -179.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.569 HG12 HG23 ' A' ' 18' ' ' THR . 63.5 mt -97.87 116.29 40.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.525 177.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -84.93 133.02 34.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.354 -0.384 . . . . 0.0 109.966 175.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -85.03 -34.53 22.29 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.557 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -142.24 178.97 20.47 Favored Glycine 0 N--CA 1.438 -1.168 0 CA-C-N 115.454 -0.794 . . . . 0.0 112.53 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.545 HG11 ' HB2' ' A' ' 61' ' ' SER . 17.6 t -78.29 -24.54 13.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.669 0.271 . . . . 0.0 111.267 -174.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -67.87 -43.51 79.23 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.422 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -59.43 -38.18 80.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.249 177.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.506 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -63.5 -50.8 68.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.711 177.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.544 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 72.2 t80 -63.02 -44.35 96.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.971 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -61.32 -41.68 97.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.225 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -61.63 -47.16 86.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.699 178.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.544 ' HA ' ' HB2' ' A' ' 43' ' ' TRP . 95.0 mt -60.48 -47.5 85.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -67.69 -38.44 83.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.816 -178.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -67.97 -61.24 1.96 Allowed 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.071 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -157.38 85.86 0.93 Allowed 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.354 0.597 . . . . 0.0 111.684 -177.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.625 ' CZ3' HD11 ' A' ' 19' ' ' ILE . 61.3 t-105 -101.04 110.81 62.21 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 168.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.434 ' HG3' HD23 ' A' ' 21' ' ' LEU . 73.2 Cg_endo -74.13 32.37 0.34 Allowed 'Trans proline' 0 N--CA 1.473 0.296 0 C-N-CA 123.372 2.714 . . . . 0.0 113.732 -172.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -145.51 132.78 20.54 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 mtm-85 -136.53 157.56 46.49 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.84 -98.41 0.11 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.194 -178.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.537 ' OD2' ' HG3' ' A' ' 49' ' ' ARG . 37.6 t70 -149.15 -103.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.725 0.263 . . . . 0.0 111.421 -177.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.537 ' HG3' ' OD2' ' A' ' 48' ' ' ASP . 83.6 mtt180 -78.27 -31.33 49.0 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -171.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.7 -31.19 71.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.094 0.473 . . . . 0.0 110.55 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -78.45 -42.18 30.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.672 178.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.434 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 98.4 mt-10 -61.31 -48.65 80.39 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.905 178.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -57.41 -43.86 84.11 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.296 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.68 -44.61 77.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.918 0.389 . . . . 0.0 110.809 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.1 mt -66.8 -41.12 88.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.874 179.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 95.5 mtt180 -66.11 -46.86 76.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.201 -178.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.8 mt -58.64 -40.86 84.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.544 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 74.0 m -65.5 -47.9 74.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.413 -179.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.2 mtm180 -70.67 -32.27 69.48 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.138 -177.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.33 95.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.108 0.48 . . . . 0.0 110.447 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.545 ' HB2' HG11 ' A' ' 32' ' ' VAL . 26.2 m -62.66 -35.22 78.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.92 179.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.7 mt -68.18 -17.29 64.29 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.59 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 71.5 mtm -97.74 -8.24 29.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.966 0.412 . . . . 0.0 110.614 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.37 7.29 58.25 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.6 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.04 -30.08 70.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.928 0.394 . . . . 0.0 111.132 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.454 HG13 ' HB ' ' A' ' 70' ' ' ILE . 44.2 t -121.5 134.35 65.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.169 -178.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.35 21.66 0.75 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.087 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.43 ' H ' HG12 ' A' ' 66' ' ' VAL . . . 88.93 -45.13 3.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.003 178.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -55.14 -62.41 1.68 Allowed 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -177.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.454 ' HB ' HG13 ' A' ' 66' ' ' VAL . 67.4 mt -56.48 -36.43 47.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.178 0.513 . . . . 0.0 110.949 -178.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.86 -36.42 78.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.085 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.452 ' O ' HG23 ' A' ' 76' ' ' VAL . 46.3 ttt180 -66.62 -47.67 71.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.647 0.26 . . . . 0.0 110.912 -176.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 p -70.32 -42.39 72.01 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 120.867 0.365 . . . . 0.0 111.192 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.53 -35.05 79.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.307 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.412 ' HE1' HD12 ' A' ' 19' ' ' ILE . 44.4 t80 -63.09 -45.14 93.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.168 178.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 72' ' ' ARG . 91.6 t -59.56 -39.64 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.481 178.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.6 -43.55 93.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.307 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.34 -32.05 70.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.056 0.455 . . . . 0.0 111.163 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.7 m -74.5 -2.6 26.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.814 -177.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -65.68 -12.62 55.13 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.76 0.314 . . . . 0.0 110.64 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -56.6 -36.14 69.07 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.723 175.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.01 -16.23 62.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.271 -178.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 20.1 m80 59.28 36.22 23.55 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.002 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.532 ' O ' ' HB3' ' A' ' 20' ' ' SER . 22.2 t -160.99 99.15 1.21 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.501 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 77.1 mt -122.19 178.41 4.94 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.525 177.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 47.3 mtp . . . . . 0 C--N 1.327 -0.394 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.167 172.213 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 121.19 0.519 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.43 HG21 ' O ' ' A' ' 61' ' ' SER . 61.1 t -98.12 110.53 25.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.409 -178.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -82.23 145.3 30.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.106 177.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.26 144.61 31.43 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.731 0.3 . . . . 0.0 110.592 178.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -61.18 -50.04 74.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.823 0.82 . . . . 0.0 108.997 175.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -127.39 103.79 22.4 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 114.317 -1.31 . . . . 0.0 109.146 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -51.24 147.82 20.1 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.779 2.986 . . . . 0.0 113.034 -176.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.2 t -107.31 125.83 63.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.484 -173.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.5 m -88.2 114.91 25.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.158 177.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.516 ' HB ' ' CE2' ' A' ' 29' ' ' PHE . 13.8 mm -119.78 137.03 54.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.429 178.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.41 ' HB2' ' SD ' ' A' ' 86' ' ' MET . 20.9 t -96.67 116.54 29.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.791 0.329 . . . . 0.0 110.205 179.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.634 ' HG ' ' CE1' ' A' ' 38' ' ' PHE . 7.2 mp -70.86 165.71 22.65 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.031 177.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -59.95 -23.27 63.44 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -72.9 -14.71 61.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.717 0.294 . . . . 0.0 111.033 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.88 58.2 1.73 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.573 -176.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.439 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -144.94 114.56 5.02 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.778 -0.211 . . . . 0.0 110.473 -178.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 5.5 Cg_exo -78.21 101.27 1.45 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 123.125 2.55 . . . . 0.0 112.053 178.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -95.9 130.69 42.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.482 176.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.7 mt -93.4 113.22 27.82 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.693 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.516 ' CE2' ' HB ' ' A' ' 19' ' ' ILE . 44.2 m-85 -83.16 118.08 23.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.252 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -83.52 -26.2 30.37 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.789 -177.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -138.24 159.55 25.22 Favored Glycine 0 N--CA 1.442 -0.945 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.687 -178.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.558 HG11 ' HB2' ' A' ' 61' ' ' SER . 48.4 t -62.11 -31.68 52.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.939 0.4 . . . . 0.0 111.056 -177.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -61.33 -41.07 96.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.247 -178.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.33 -41.51 97.15 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.264 0.554 . . . . 0.0 110.206 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.618 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -72.18 -45.27 61.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.092 -179.147 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -60.74 -42.77 98.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.664 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.544 ' O ' ' HD2' ' A' ' 41' ' ' HIS . 20.7 t70 -60.95 -50.84 71.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.896 175.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.634 ' CE1' ' HG ' ' A' ' 21' ' ' LEU . 34.5 t80 -52.48 -43.03 64.75 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.229 178.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.2 mt -56.5 -45.64 80.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.685 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -77.04 -17.75 58.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.625 -176.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.544 ' HD2' ' O ' ' A' ' 37' ' ' ASP . 34.7 m-70 -84.51 -63.1 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.645 177.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -157.02 79.06 0.91 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.015 0.436 . . . . 0.0 111.337 -176.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.57 ' NE1' ' HB3' ' A' ' 45' ' ' ALA . 49.9 t-105 -89.27 113.82 57.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.981 174.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.52 ' HD2' ' CE3' ' A' ' 43' ' ' TRP . 83.0 Cg_exo -49.17 -37.72 39.46 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.802 3.001 . . . . 0.0 114.458 -177.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.57 ' HB3' ' NE1' ' A' ' 43' ' ' TRP . . . -82.66 85.72 6.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.466 0.65 . . . . 0.0 110.687 -178.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 46' ' ' ARG . 8.7 ptt180 -101.51 148.49 25.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.872 -177.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.24 -98.04 0.16 Allowed Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -152.35 -80.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.809 0.304 . . . . 0.0 111.167 174.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 39.5 ttt85 -68.13 -35.01 77.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.826 -171.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.68 -40.49 76.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.25 0.547 . . . . 0.0 110.236 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -70.85 -45.43 64.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.517 178.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -53.0 -56.83 13.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.405 178.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.488 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 8.7 tt0 -52.14 -47.36 65.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.409 -176.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.61 -47.86 75.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.567 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 39' ' ' LEU . 9.8 mp -72.4 -37.85 68.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.316 -178.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.2 mmt85 -62.0 -40.04 94.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.86 0.362 . . . . 0.0 110.968 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 84.5 mt -64.97 -48.42 74.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.679 178.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 73.2 m -65.83 -34.66 78.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.252 -178.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -62.11 -41.38 98.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.91 0.385 . . . . 0.0 110.647 177.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.44 -35.2 60.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.817 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.558 ' HB2' HG11 ' A' ' 32' ' ' VAL . 47.2 m -64.64 -31.97 73.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.459 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 48.1 mt -70.63 -8.69 53.62 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.806 0.336 . . . . 0.0 111.79 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.2 mmm -107.29 -5.27 17.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.062 0.458 . . . . 0.0 110.523 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.78 19.38 58.07 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.615 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -75.63 -38.29 59.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.097 0.475 . . . . 0.0 110.662 178.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.2 t -107.33 121.08 59.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.096 -177.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.13 89.67 4.24 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -175.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.55 -100.64 0.04 OUTLIER Glycine 0 CA--C 1.521 0.409 0 N-CA-C 115.22 0.848 . . . . 0.0 115.22 166.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.566 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 42.8 tt0 -58.18 -26.96 63.41 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -173.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 61.8 mt -60.95 -45.99 97.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.889 0.376 . . . . 0.0 110.309 178.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.67 -37.0 79.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.996 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.566 ' HB3' ' HA ' ' A' ' 69' ' ' GLU . 21.6 ttt85 -59.3 -49.19 78.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.064 178.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.3 m -66.16 -41.68 90.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.895 0.379 . . . . 0.0 111.069 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.27 -33.06 74.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.024 0.44 . . . . 0.0 110.785 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.442 ' CE1' HD21 ' A' ' 39' ' ' LEU . 39.9 t80 -66.54 -35.81 81.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.806 177.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.554 HG13 HD22 ' A' ' 85' ' ' LEU . 79.3 t -61.07 -39.53 82.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.293 175.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.4 87.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.111 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.08 -38.35 66.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.117 0.484 . . . . 0.0 110.594 177.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.3 m -67.81 -16.8 64.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.208 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -61.79 -37.11 83.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.077 -178.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -60.86 -43.27 98.61 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.038 0.447 . . . . 0.0 111.094 -178.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.01 -1.17 57.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.904 -178.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 58.39 34.38 23.95 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.48 -177.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.446 ' SG ' HG23 ' A' ' 19' ' ' ILE . 47.2 t -88.45 32.26 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.695 0.759 . . . . 0.0 109.928 -179.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.554 HD22 HG13 ' A' ' 76' ' ' VAL . 90.2 mt -87.29 122.59 31.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.162 -176.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.41 ' SD ' ' HB2' ' A' ' 20' ' ' SER . 82.2 mtp . . . . . 0 C--N 1.314 -0.97 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.303 176.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.5 t0 . . . . . 0 CA--C 1.518 -0.259 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.554 HG12 HD23 ' A' ' 62' ' ' LEU . 5.4 p -96.89 126.53 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.542 -171.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.546 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 91.9 mttt -112.4 159.29 18.86 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.379 -178.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.48 135.29 33.55 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.451 0.643 . . . . 0.0 112.429 -174.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -71.86 -29.8 64.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.7 -1.137 . . . . 0.0 108.926 175.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.533 ' HB2' ' HD2' ' A' ' 72' ' ' ARG . 88.8 mttt -129.12 102.94 18.58 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 114.492 -1.231 . . . . 0.0 108.848 173.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.67 145.55 59.1 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.951 2.434 . . . . 0.0 112.784 -177.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.478 HG22 ' HG3' ' A' ' 72' ' ' ARG . 55.4 t -102.94 125.55 57.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.893 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.761 ' HB ' ' SD ' ' A' ' 86' ' ' MET . 7.3 m -112.18 109.82 19.74 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.046 0.451 . . . . 0.0 110.088 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.5 ' CG1' ' HE2' ' A' ' 29' ' ' PHE . 27.5 mm -106.64 123.32 61.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.409 -177.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 15.3 m -85.69 115.8 23.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.979 0.418 . . . . 0.0 110.323 177.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.479 HD21 ' CE1' ' A' ' 38' ' ' PHE . 20.6 mt -71.32 -178.69 2.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.848 179.175 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 47.5 tp60 -64.74 -31.45 72.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.406 -176.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -78.43 5.9 9.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.987 177.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.94 33.97 65.52 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.7 -178.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.57 105.02 56.66 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 120.677 0.275 . . . . 0.0 110.513 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 2.7 Cg_exo -76.53 112.33 3.44 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 123.094 2.529 . . . . 0.0 111.97 178.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.446 HH11 ' HD1' ' A' ' 38' ' ' PHE . 79.2 mtp180 -93.68 125.94 38.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.1 mt -88.64 107.9 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.973 0.416 . . . . 0.0 110.45 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.5 ' HE2' ' CG1' ' A' ' 19' ' ' ILE . 30.7 m-85 -90.8 119.1 30.74 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -104.27 -14.57 15.76 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 -177.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.546 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -128.57 149.09 18.23 Favored Glycine 0 N--CA 1.442 -0.926 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.126 177.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.486 HG11 ' HB2' ' A' ' 61' ' ' SER . 50.2 t -68.26 -28.72 41.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.907 0.384 . . . . 0.0 110.825 -177.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.45 ' HA ' HD11 ' A' ' 62' ' ' LEU . 66.5 t80 -65.57 -35.71 81.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.764 0.316 . . . . 0.0 110.263 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -64.53 -40.73 96.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.258 0.551 . . . . 0.0 110.08 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.573 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -67.62 -41.65 83.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.677 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.479 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 90.9 t80 -59.1 -45.55 90.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.37 176.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.57 -43.72 98.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.374 178.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.479 ' CE1' HD21 ' A' ' 21' ' ' LEU . 62.9 t80 -55.79 -45.28 78.24 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.687 179.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 89.4 mt -63.68 -19.07 64.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.191 -175.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -97.93 -31.67 12.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.697 0.284 . . . . 0.0 111.543 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -83.01 -39.75 20.86 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.81 -175.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -163.25 84.04 0.49 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.137 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.525 ' HB2' ' HA ' ' A' ' 39' ' ' LEU . 53.7 t-105 -117.4 109.44 42.11 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.085 174.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.89 -32.98 65.65 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.266 2.644 . . . . 0.0 114.068 -175.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.424 ' HB3' ' NE1' ' A' ' 43' ' ' TRP . . . -74.56 107.89 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.152 0.501 . . . . 0.0 110.76 -177.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 71.1 mtt-85 -101.35 179.56 4.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.822 -176.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 130.82 -18.27 5.12 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 -175.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 69.0 -53.04 0.58 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.953 0.901 . . . . 0.0 113.119 177.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 70.0 mtm-85 -61.73 -48.37 81.04 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.723 0.297 . . . . 0.0 111.12 -179.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.95 -30.26 68.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.293 0.568 . . . . 0.0 110.54 175.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.412 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 26.3 t-80 -68.63 -45.48 71.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.439 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -65.6 -35.06 79.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.226 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.469 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 34.7 tt0 -59.03 -51.81 68.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.411 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.41 91.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.756 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.446 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 97.2 mt -62.04 -44.29 97.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.741 177.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 45.7 ttm-85 -62.35 -41.14 98.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.592 -177.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 78.0 mt -60.02 -43.95 94.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.444 178.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.479 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 63.1 m -66.03 -42.5 89.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.723 178.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.465 HH11 ' HD2' ' A' ' 59' ' ' ARG . 63.8 mtt180 -60.9 -44.52 97.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.27 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.74 -39.69 92.46 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.835 0.35 . . . . 0.0 110.986 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.486 ' HB2' HG11 ' A' ' 32' ' ' VAL . 16.9 m -63.35 -39.75 95.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.353 0.597 . . . . 0.0 109.982 177.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.554 HD23 HG12 ' A' ' 11' ' ' VAL . 51.8 mt -86.25 9.39 17.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.651 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 58.6 ttp -112.71 -54.86 2.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.278 -176.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -160.28 -66.18 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 119.149 -1.5 . . . . 0.0 114.65 -176.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -132.85 88.48 2.52 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -165.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.542 HG11 ' HB2' ' A' ' 71' ' ' ALA . 55.1 t -140.56 123.94 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.259 165.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.437 ' HB3' HD12 ' A' ' 70' ' ' ILE . . . -85.49 81.92 8.5 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 35.14 -91.5 0.01 OUTLIER Glycine 0 N--CA 1.469 0.855 0 N-CA-C 116.105 1.202 . . . . 0.0 116.105 167.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -51.54 -34.38 36.26 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.181 0.592 . . . . 0.0 112.213 -176.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.437 HD12 ' HB3' ' A' ' 67' ' ' ALA . 66.5 mt -59.65 -48.35 87.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.844 0.354 . . . . 0.0 110.441 178.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.542 ' HB2' HG11 ' A' ' 66' ' ' VAL . . . -59.58 -34.33 72.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.263 176.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.533 ' HD2' ' HB2' ' A' ' 15' ' ' LYS . 71.9 ttt-85 -63.79 -52.63 59.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.809 0.338 . . . . 0.0 110.586 -178.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.3 m -62.38 -38.67 90.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.062 0.458 . . . . 0.0 110.636 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.06 -34.86 79.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.718 177.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -68.57 -36.61 79.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.061 177.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 75.6 t -65.76 -37.77 80.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.038 0.447 . . . . 0.0 110.361 175.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.55 -30.18 70.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.776 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.75 -41.96 25.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.942 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.4 p -73.9 -10.15 59.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.256 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -62.11 -25.79 67.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.351 0.596 . . . . 0.0 109.486 175.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -70.4 -11.83 61.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.075 178.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.11 -9.54 57.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.836 0.35 . . . . 0.0 110.334 176.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 64.73 25.22 12.98 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.515 176.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 43.2 t -155.24 93.59 1.53 Allowed 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.12 0.486 . . . . 0.0 110.131 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.4 mt -96.58 141.82 29.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.345 178.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.761 ' SD ' ' HB ' ' A' ' 18' ' ' THR . 48.5 ttp . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.815 0.34 . . . . 0.0 110.918 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.6 mtp . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -70.78 107.41 3.97 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 174.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.7 m -76.84 156.99 5.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.02 -177.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -77.05 -9.31 58.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.38 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -86.12 -174.02 4.86 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.086 172.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 95.4 mmm -120.72 171.53 8.53 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.385 -178.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 52.9 tp -88.44 -35.02 17.3 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 175.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 99.0 mt -80.04 -17.44 52.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.218 176.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.548 HD21 ' HG3' ' A' ' 34' ' ' GLU . 0.6 OUTLIER -124.93 91.68 3.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.427 175.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -49.94 -46.24 51.95 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 124.106 0.879 . . . . 0.0 111.648 -174.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.78 HG13 ' HB ' ' A' ' 32' ' ' VAL . 4.1 p -121.45 111.99 33.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.527 0.68 . . . . 0.0 110.511 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -87.91 145.51 26.01 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.778 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -90.71 -176.91 4.85 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -175.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.43 ' C ' ' HD2' ' A' ' 16' ' ' PRO . 27.8 mm-40 -66.62 -28.7 68.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.217 178.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.402 ' CB ' ' O ' ' A' ' 14' ' ' GLU . 56.8 tttp 111.61 -55.93 0.0 OUTLIER Pre-proline 0 N--CA 1.48 1.038 0 C-N-CA 125.74 1.616 . . . . 0.0 112.94 175.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.43 ' HD2' ' C ' ' A' ' 14' ' ' GLU . 61.1 Cg_endo -73.47 57.47 3.55 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 121.749 1.633 . . . . 0.0 113.54 -177.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 45.0 t -112.74 107.31 22.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 177.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.562 ' HB ' ' SD ' ' A' ' 86' ' ' MET . 11.9 m -107.43 122.9 47.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.999 -174.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.6 mm -101.03 119.46 49.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.726 172.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 t -83.83 106.05 15.21 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.1 mt -87.76 126.02 34.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.417 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -62.13 -48.22 81.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.769 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -96.98 15.97 20.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.019 -178.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -139.07 -116.14 1.36 Allowed Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.203 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -158.3 162.77 26.23 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -176.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.22 101.94 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.826 2.351 . . . . 0.0 111.867 172.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -96.85 112.29 24.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.487 -177.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 59.6 mt -92.66 119.73 40.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.157 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -91.6 153.25 19.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.612 -178.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -108.13 -25.0 11.31 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.144 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.464 ' HA3' ' OD1' ' A' ' 9' ' ' ASN . . . -137.11 155.23 22.69 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.478 -177.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.78 ' HB ' HG13 ' A' ' 11' ' ' VAL . 40.3 t -71.56 -26.28 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.156 0.503 . . . . 0.0 109.915 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -63.89 -35.97 82.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.284 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.548 ' HG3' HD21 ' A' ' 9' ' ' ASN . 45.6 mt-10 -65.35 -45.98 82.04 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.199 0.523 . . . . 0.0 109.799 177.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.516 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -63.54 -43.74 96.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.248 -178.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.406 ' HA ' HD12 ' A' ' 39' ' ' LEU . 80.6 t80 -60.01 -42.73 94.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.637 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -67.79 -42.66 81.28 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.115 0.483 . . . . 0.0 110.323 178.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -58.22 -39.52 79.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.386 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 88.7 mt -59.55 -24.66 63.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.026 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -97.84 -26.74 14.59 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.111 -177.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -76.56 -76.76 0.15 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.81 -176.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -136.04 68.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.12 0.486 . . . . 0.0 111.549 -173.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.424 ' HA ' ' HD2' ' A' ' 44' ' ' PRO . 68.1 t-105 -90.1 117.49 68.1 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 171.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 43' ' ' TRP . 9.5 Cg_endo -49.9 -71.56 0.05 OUTLIER 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.765 2.977 . . . . 0.0 113.823 -171.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.18 106.38 15.8 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.0 mtt-85 -62.2 -78.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.69 -174.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.74 -98.49 0.56 Allowed Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.375 -0.917 . . . . 0.0 113.06 169.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.454 ' CG ' ' H ' ' A' ' 49' ' ' ARG . 15.5 t70 -166.93 -139.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -174.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.454 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 61.1 mtt85 -57.21 -35.15 69.3 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.56 -36.73 76.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -64.81 -43.62 92.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.806 175.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -65.49 -37.34 86.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.851 179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -59.88 -38.13 81.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.72 177.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.95 -51.48 69.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.553 177.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.473 HD12 HD13 ' A' ' 39' ' ' LEU . 8.9 mp -63.92 -39.84 95.1 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.956 0.408 . . . . 0.0 110.855 177.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -58.33 -51.14 71.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.138 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.9 -33.85 74.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.414 -177.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 70.9 m -64.38 -36.04 82.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.056 0.455 . . . . 0.0 110.14 175.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -65.41 -41.2 93.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.291 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.25 -31.03 69.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.898 178.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.3 m -64.27 -31.03 72.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.634 177.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.681 HD23 HG12 ' A' ' 11' ' ' VAL . 92.1 mt -64.19 -26.26 68.44 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.769 178.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 62.7 mtt -83.25 -18.31 39.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.724 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.68 31.39 21.49 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.962 -177.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -110.17 6.37 22.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 111.295 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 64.4 t -133.07 136.71 54.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 178.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -92.77 169.12 10.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.62 0.248 . . . . 0.0 110.807 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.13 -59.06 11.51 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.941 -0.572 . . . . 0.0 113.797 -173.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.408 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 14.1 mm-40 -69.0 -26.82 65.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.819 0.309 . . . . 0.0 110.942 -175.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 61.4 mt -62.79 -56.03 20.04 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 120.882 0.372 . . . . 0.0 110.374 177.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.92 85.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.295 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.479 ' O ' HG23 ' A' ' 76' ' ' VAL . 68.4 ttt180 -57.82 -50.5 73.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.328 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.9 m -61.32 -42.21 98.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.034 0.445 . . . . 0.0 110.765 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.33 -31.91 67.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -64.86 -36.53 84.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.687 177.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 72' ' ' ARG . 89.8 t -66.08 -37.08 78.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.254 176.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 80' ' ' ARG . . . -64.31 -36.96 85.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.783 177.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.63 -41.21 72.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.091 0.472 . . . . 0.0 110.37 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.3 t -65.26 -25.97 67.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.291 177.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.477 ' HB3' ' O ' ' A' ' 77' ' ' ALA . 47.2 ttt180 -62.95 -42.59 99.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.718 176.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -63.96 -38.94 92.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.163 0.506 . . . . 0.0 110.034 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.14 -13.4 60.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.332 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 22.6 m170 62.28 28.2 16.84 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.103 -176.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.2 t -105.32 29.13 6.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.467 0.651 . . . . 0.0 109.487 -176.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.05 139.54 58.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.016 -0.993 . . . . 0.0 112.04 -175.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.562 ' SD ' ' HB ' ' A' ' 18' ' ' THR . 19.8 ttt -69.17 124.62 24.29 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.348 175.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -71.34 116.14 11.32 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -59.52 140.57 56.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.969 -173.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -115.67 166.8 11.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.924 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -118.47 132.16 56.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.276 178.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -84.21 132.79 34.62 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 178.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 55.76 72.03 1.11 Allowed Pre-proline 0 N--CA 1.465 0.307 0 O-C-N 123.799 0.687 . . . . 0.0 110.843 -174.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -87.16 -9.94 5.92 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.735 2.29 . . . . 0.0 113.221 -175.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -110.7 98.72 7.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.037 0.446 . . . . 0.0 110.775 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 34.3 p -112.49 -175.47 2.69 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.827 -178.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.5 tt -130.33 153.49 39.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.41 -38.63 55.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.756 0.312 . . . . 0.0 111.166 -175.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.4 p -82.18 102.68 11.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.09 0.471 . . . . 0.0 110.909 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -138.41 -79.11 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.058 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.818 -0.61 . . . . 0.0 109.738 178.824 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.0 mtp . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 120.888 0.375 . . . . 0.0 110.14 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -82.26 75.83 9.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.194 0.521 . . . . 0.0 111.332 -178.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.2 m -93.5 73.73 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.926 0.869 . . . . 0.0 109.528 173.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -74.82 142.7 44.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.738 -1.119 . . . . 0.0 111.391 -172.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 m -73.53 102.87 3.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.57 174.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.571 ' H ' ' HE1' ' A' ' 33' ' ' TYR . 64.2 mtt -94.64 133.2 38.56 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.401 -178.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 85.7 mt -80.65 -24.27 39.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.39 -178.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 92.1 mt -79.19 97.11 6.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.217 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.423 HD22 ' N ' ' A' ' 9' ' ' ASN . 0.9 OUTLIER -105.12 124.41 49.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.498 179.642 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -58.37 -48.06 81.81 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.147 0.499 . . . . 0.0 110.493 175.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.0 t -114.16 112.47 40.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.728 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -89.14 142.66 27.45 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 171.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.469 ' CZ3' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -78.85 128.48 33.4 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.782 -179.46 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -76.06 -48.45 20.78 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -97.6 105.43 26.22 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.132 -0.94 . . . . 0.0 108.518 172.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.472 ' HB2' HG23 ' A' ' 28' ' ' ILE . 31.2 Cg_endo -62.43 150.28 87.92 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 123.13 2.553 . . . . 0.0 113.253 -171.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.546 HG22 ' HG3' ' A' ' 72' ' ' ARG . 43.5 t -103.56 105.91 19.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.953 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.6 m -95.67 108.38 20.66 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.246 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.574 HD11 ' HZ3' ' A' ' 43' ' ' TRP . 20.5 tt -101.25 132.17 47.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 178.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.3 p -101.93 119.7 39.21 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.055 0.455 . . . . 0.0 110.903 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.76 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 10.4 mp -67.14 164.26 18.42 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.667 174.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.7 -16.96 64.25 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -170.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -92.89 11.68 26.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.044 0.45 . . . . 0.0 110.793 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.411 ' O ' ' HD3' ' A' ' 26' ' ' PRO . . . 77.37 45.82 10.8 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.053 -0.594 . . . . 0.0 111.93 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.76 ' HB3' ' HB2' ' A' ' 21' ' ' LEU . . . -111.74 97.48 37.51 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-O 120.666 0.269 . . . . 0.0 110.781 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 24' ' ' GLY . 4.9 Cg_exo -76.3 117.8 4.73 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 123.219 2.613 . . . . 0.0 112.104 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.544 HH11 ' HE1' ' A' ' 38' ' ' PHE . 99.3 mtt180 -115.08 117.55 30.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.047 176.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.472 HG23 ' HB2' ' A' ' 16' ' ' PRO . 62.2 mt -91.44 116.82 33.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.583 -176.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.462 ' HD2' ' HB ' ' A' ' 17' ' ' VAL . 33.3 m-85 -79.05 127.01 31.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.648 178.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -84.96 -41.92 15.43 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.979 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -127.41 161.53 21.51 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.804 -0.713 . . . . 0.0 111.88 -178.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.605 HG11 ' HB2' ' A' ' 61' ' ' SER . 78.5 t -62.87 -38.48 81.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.012 0.434 . . . . 0.0 111.343 -178.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.571 ' HE1' ' H ' ' A' ' 6' ' ' MET . 58.2 t80 -66.52 -33.68 76.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.188 -178.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -65.76 -36.29 83.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.373 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.458 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -67.26 -40.31 86.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.404 176.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -62.47 -42.04 99.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.508 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -59.73 -52.42 65.55 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.948 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.544 ' HE1' HH11 ' A' ' 27' ' ' ARG . 84.6 t80 -54.02 -42.07 68.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.471 -178.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.1 mt -61.95 -27.86 69.13 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -176.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -100.87 -27.55 13.26 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.259 -178.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -83.6 -48.13 10.55 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.735 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -139.49 77.86 1.64 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.993 0.425 . . . . 0.0 111.773 -174.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.574 ' HZ3' HD11 ' A' ' 19' ' ' ILE . 60.2 t-105 -111.39 107.31 57.09 Favored Pre-proline 0 C--N 1.318 -0.771 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 173.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -82.75 37.81 0.7 Allowed 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 123.178 2.585 . . . . 0.0 113.289 -173.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.25 -171.57 2.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.315 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -112.21 -122.5 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.042 175.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.19 -34.98 3.23 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.243 -0.98 . . . . 0.0 111.58 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.8 t70 58.73 -91.12 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.282 0.633 . . . . 0.0 111.319 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 -64.05 -43.55 95.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.888 0.375 . . . . 0.0 110.708 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.87 -32.16 73.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.84 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 47.3 t60 -70.9 -47.44 59.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.253 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -65.2 -39.28 92.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.894 178.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.611 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 35.6 tt0 -59.58 -49.01 79.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.641 176.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.516 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -57.74 -41.78 82.55 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.341 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 93.3 mt -64.08 -43.82 94.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.97 0.414 . . . . 0.0 110.499 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -64.12 -40.01 95.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.083 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 84.7 mt -56.21 -49.84 72.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.414 177.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 55.5 m -65.53 -41.3 93.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.534 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -61.44 -47.49 85.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.717 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.3 -27.93 64.78 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.385 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.605 ' HB2' HG11 ' A' ' 32' ' ' VAL . 61.8 m -70.78 -36.09 72.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.378 177.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.7 mt -68.96 -27.57 65.85 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.437 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 87.2 mtp -72.1 -33.13 67.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.087 175.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.9 20.27 10.87 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.559 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -98.15 -23.63 15.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 122.613 -0.345 . . . . 0.0 111.334 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.51 HG11 ' HB2' ' A' ' 71' ' ' ALA . 60.7 t -101.79 116.84 46.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 176.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.87 65.62 2.6 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -175.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.04 -84.12 0.07 OUTLIER Glycine 0 CA--C 1.522 0.524 0 N-CA-C 115.04 0.776 . . . . 0.0 115.04 169.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -66.94 -25.71 66.48 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -170.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.6 mt -59.42 -41.36 84.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.005 0.431 . . . . 0.0 110.205 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.51 ' HB2' HG11 ' A' ' 66' ' ' VAL . . . -72.09 -36.82 69.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.336 177.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.546 ' HG3' HG22 ' A' ' 17' ' ' VAL . 29.0 ttt180 -58.39 -48.3 81.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.425 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.9 m -66.05 -43.67 86.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.064 -177.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.1 -36.01 77.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.244 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -57.86 -49.83 75.36 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.033 0.444 . . . . 0.0 110.147 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 97.0 t -63.73 -41.37 92.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.561 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.33 -44.03 88.49 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.359 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.6 -34.01 75.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.048 0.452 . . . . 0.0 111.012 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.0 m -76.53 -9.95 59.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.701 -176.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.722 ' HG2' HD11 ' A' ' 85' ' ' LEU . 35.5 mtp180 -64.66 -31.14 72.22 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.779 0.323 . . . . 0.0 110.749 -178.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -67.45 -25.66 66.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.69 -15.98 61.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.674 178.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 38.9 m80 62.91 37.19 12.22 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.289 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 35.9 t -150.21 92.66 1.9 Allowed 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.619 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.722 HD11 ' HG2' ' A' ' 80' ' ' ARG . 94.4 mt -122.52 178.06 5.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.967 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 91.9 mmm -76.89 -25.73 53.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.423 176.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -74.1 99.05 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 176.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -86.17 -162.37 0.74 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.679 178.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -73.75 76.12 1.57 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.376 0.608 . . . . 0.0 111.276 -176.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -140.58 68.39 1.35 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.123 -0.944 . . . . 0.0 108.989 174.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -91.61 96.01 10.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.53 -174.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.412 ' HA ' ' HD2' ' A' ' 93' ' ' PRO . . . -122.42 97.41 44.96 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.12 177.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 92' ' ' ALA . 25.7 Cg_endo -63.81 -60.75 0.14 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.232 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -94.72 173.69 7.48 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.294 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.6 p -99.0 122.24 42.0 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.195 0.522 . . . . 0.0 112.175 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.421 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.8 mp -109.35 147.43 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 174.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.76 16.53 0.11 Allowed 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -175.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.9 p -87.55 11.99 13.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.808 0.337 . . . . 0.0 110.421 178.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -57.67 111.01 2.66 Favored Glycine 0 N--CA 1.449 -0.436 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.589 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.8 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.264 -0.874 . . . . 0.0 108.838 -178.193 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ttt . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -73.28 110.35 7.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.076 0.465 . . . . 0.0 111.227 -177.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.4 m -92.67 144.89 8.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.395 172.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -61.74 -42.89 99.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.951 0.405 . . . . 0.0 111.096 -176.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 t -123.75 126.67 46.92 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.173 -0.676 . . . . 0.0 109.173 176.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 87.7 mtp -96.98 145.61 25.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.848 -176.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.8 tp -72.19 -36.74 69.31 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.779 HD22 ' HA ' ' A' ' 63' ' ' MET . 77.9 mt -85.66 120.32 26.96 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 174.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -102.32 163.86 12.0 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -173.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -69.28 100.9 1.39 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.544 175.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.2 t -89.43 104.47 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-O 121.275 0.56 . . . . 0.0 109.967 -175.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.562 ' HD3' ' HA3' ' A' ' 31' ' ' GLY . 68.9 mmtt -89.3 157.69 18.11 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.31 176.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -169.5 2.57 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.211 178.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -63.04 -57.45 10.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.697 174.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.55 -59.85 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.868 175.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -91.16 129.6 1.31 Allowed 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 121.881 1.72 . . . . 0.0 114.189 -171.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 60.5 t -141.2 89.19 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 166.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.9 m -86.75 106.61 17.79 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -171.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.405 ' CG1' ' HE2' ' A' ' 29' ' ' PHE . 35.6 mm -113.02 104.63 17.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.133 174.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.675 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 55.8 m -80.83 101.02 9.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.037 0.446 . . . . 0.0 110.77 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.458 HD21 ' CZ ' ' A' ' 38' ' ' PHE . 81.8 mt -71.5 145.02 49.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.886 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -60.01 -18.46 46.17 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.307 0.575 . . . . 0.0 110.52 175.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -67.16 -12.88 61.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.614 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.46 44.19 3.52 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.089 -0.577 . . . . 0.0 112.225 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -154.45 110.44 2.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.712 0.292 . . . . 0.0 111.32 -178.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.675 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 4.4 Cg_exo -77.8 96.28 1.09 Allowed 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 123.038 2.492 . . . . 0.0 111.073 171.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -83.68 117.84 23.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.53 -178.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.476 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 67.0 mt -97.4 105.81 17.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.075 178.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.405 ' HE2' ' CG1' ' A' ' 19' ' ' ILE . 23.6 m-85 -84.65 145.58 27.92 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -117.85 -5.65 11.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.074 0.464 . . . . 0.0 110.959 -178.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.562 ' HA3' ' HD3' ' A' ' 12' ' ' LYS . . . -135.28 157.28 23.06 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 120.825 -0.703 . . . . 0.0 111.922 178.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.564 HG11 ' HB2' ' A' ' 61' ' ' SER . 47.0 t -72.67 -32.1 39.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.974 0.416 . . . . 0.0 111.038 -176.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -67.11 -36.35 81.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.518 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.25 -41.01 98.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.643 179.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.595 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -65.86 -43.42 88.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.969 -179.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -61.92 -44.26 97.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.63 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.8 -41.35 83.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.308 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.458 ' CZ ' HD21 ' A' ' 21' ' ' LEU . 26.1 t80 -58.18 -39.85 79.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.68 178.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 94.2 mt -60.63 -27.67 67.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.941 -176.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -92.45 -7.98 46.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.834 0.349 . . . . 0.0 110.851 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -98.92 -84.6 0.4 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.886 -176.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -117.36 37.6 3.83 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -168.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -66.58 110.89 5.54 Favored Pre-proline 0 CA--C 1.533 0.316 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 172.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -85.46 29.76 0.52 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.248 2.632 . . . . 0.0 113.834 -168.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -158.01 -174.76 4.99 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -90.75 -167.82 1.92 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 175.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.56 ' HA2' ' OE1' ' A' ' 81' ' ' GLN . . . 172.49 -47.58 0.17 Allowed Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.575 176.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.458 ' OD1' ' HG3' ' A' ' 49' ' ' ARG . 9.5 t70 55.89 -90.45 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 123.443 0.697 . . . . 0.0 111.517 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.458 ' HG3' ' OD1' ' A' ' 48' ' ' ASP . 99.9 mtt180 -87.82 -30.4 20.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.874 -178.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.12 -29.12 63.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.713 0.768 . . . . 0.0 109.033 172.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.508 ' HB2' ' HA3' ' A' ' 47' ' ' GLY . 20.4 t60 -71.5 -41.1 69.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.238 175.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -61.2 -40.52 94.26 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.493 174.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.605 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 35.8 tt0 -54.26 -49.12 70.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.113 176.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.508 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -64.08 -43.03 96.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.246 179.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.25 -42.9 96.29 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.108 0.48 . . . . 0.0 110.584 177.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -66.38 -39.83 89.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.766 -177.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 79.4 mt -56.15 -52.41 64.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.479 176.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 37.5 m -63.78 -40.01 95.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.589 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -63.63 -51.17 66.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.734 -178.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.25 -32.09 72.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.406 -177.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.564 ' HB2' HG11 ' A' ' 32' ' ' VAL . 51.0 m -66.53 -41.82 88.18 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 176.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 72.2 mt -67.4 -26.26 66.36 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.901 0.381 . . . . 0.0 110.658 176.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.779 ' HA ' HD22 ' A' ' 8' ' ' LEU . 90.7 mtp -78.81 -8.47 58.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.679 175.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 83.28 20.84 59.77 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.607 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -93.49 -53.39 4.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.886 0.374 . . . . 0.0 110.482 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.8 t -84.13 133.04 30.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.195 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.35 26.91 0.52 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -175.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.7 -54.09 4.9 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 121.086 -0.578 . . . . 0.0 113.735 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -58.35 -52.44 65.59 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.806 0.336 . . . . 0.0 111.162 -176.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 59.0 mt -55.6 -35.94 40.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.53 -36.34 82.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.977 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.459 ' O ' HG23 ' A' ' 76' ' ' VAL . 27.9 mtp-105 -64.9 -54.36 32.0 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 120.806 0.336 . . . . 0.0 110.685 -178.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 29.7 m -56.4 -47.34 79.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.726 -176.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.25 -30.89 65.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.143 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -65.55 -43.38 90.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.015 0.435 . . . . 0.0 109.958 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 72' ' ' ARG . 59.4 t -66.91 -29.65 47.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.2 177.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.46 -37.06 77.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.077 0.465 . . . . 0.0 110.677 177.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.12 -29.6 61.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.71 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.7 m -71.12 -2.89 17.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.852 -178.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.681 ' HG2' HD11 ' A' ' 85' ' ' LEU . 97.1 mtt180 -65.66 -32.14 73.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.606 0.241 . . . . 0.0 110.604 178.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.56 ' OE1' ' HA2' ' A' ' 47' ' ' GLY . 97.0 mt-30 -69.01 -30.27 68.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.972 0.415 . . . . 0.0 110.706 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.32 -17.84 41.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.448 177.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 66.84 16.72 10.44 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.139 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 79.9 m -85.69 34.89 0.6 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.381 178.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.681 HD11 ' HG2' ' A' ' 80' ' ' ARG . 64.6 mt -71.04 117.38 12.47 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-O 121.379 0.609 . . . . 0.0 111.788 -175.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 83.1 mmm -136.83 138.27 40.62 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.348 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -95.14 130.69 41.75 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 170.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -65.05 172.5 2.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.522 0.677 . . . . 0.0 112.156 -170.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -87.47 19.26 3.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.504 -172.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.47 -32.77 60.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.185 0.517 . . . . 0.0 109.744 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -130.32 -155.99 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.113 175.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 70.72 93.23 0.05 OUTLIER Pre-proline 0 N--CA 1.464 0.246 0 CA-C-O 121.295 0.569 . . . . 0.0 111.417 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -77.76 -36.44 1.16 Allowed 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.622 2.215 . . . . 0.0 112.365 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -133.45 151.7 51.82 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.0 m -69.12 -18.13 63.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.547 0.689 . . . . 0.0 109.982 176.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 37.8 mt -68.0 -23.68 29.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.911 175.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.49 172.12 6.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.479 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.3 m -151.55 177.01 10.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.918 177.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -66.6 -26.72 72.93 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.915 -0.659 . . . . 0.0 112.064 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.8 t . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.547 -0.74 . . . . 0.0 109.503 177.516 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.6 mtt . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -111.18 120.54 42.64 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.518 -175.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.5 p -111.57 102.62 14.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.396 0.617 . . . . 0.0 110.223 176.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -83.51 109.68 17.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.802 178.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.8 p -92.1 111.27 22.76 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.539 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 96.3 mmm -72.0 113.63 9.24 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.6 mt -66.21 138.29 57.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.71 -178.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.7 mt -82.99 146.14 28.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.713 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -109.16 163.56 13.24 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -129.36 134.97 48.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.989 0.423 . . . . 0.0 110.943 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.683 HG12 HD23 ' A' ' 62' ' ' LEU . 7.3 p -143.39 132.07 19.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.746 175.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.563 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 69.5 mmtt -98.38 167.46 10.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.668 -177.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -100.74 137.75 38.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.19 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -75.28 -32.51 61.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.14 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -125.53 104.36 27.99 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.133 175.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -49.19 140.21 25.98 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.656 2.904 . . . . 0.0 113.225 -175.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 50.9 t -104.98 117.52 50.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.476 -178.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.567 ' O ' ' HB2' ' A' ' 86' ' ' MET . 4.8 m -94.88 112.2 23.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.624 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.596 HD11 ' HZ3' ' A' ' 43' ' ' TRP . 16.6 tt -94.03 124.3 46.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.487 ' HB2' ' CG ' ' A' ' 86' ' ' MET . 3.6 t -93.59 100.91 13.08 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.121 0.486 . . . . 0.0 110.077 -177.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.3 mt -78.27 144.01 36.53 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.853 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -58.79 -26.98 64.59 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.077 -172.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -75.2 -1.16 22.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.907 0.384 . . . . 0.0 110.886 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.85 35.39 7.23 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.119 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.21 101.0 49.96 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-O 120.67 0.271 . . . . 0.0 110.826 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -78.69 97.36 1.13 Allowed 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 123.031 2.487 . . . . 0.0 111.002 174.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.722 HH11 ' HE1' ' A' ' 29' ' ' PHE . 18.2 ttt180 -88.86 111.77 22.46 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -178.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.8 mt -87.87 110.04 20.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.586 -177.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.722 ' HE1' HH11 ' A' ' 27' ' ' ARG . 51.4 m-85 -81.68 118.44 22.82 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.312 178.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -89.87 -19.8 24.17 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.685 178.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.563 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -139.42 155.14 23.93 Favored Glycine 0 N--CA 1.44 -1.043 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.944 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.521 HG11 ' HB2' ' A' ' 61' ' ' SER . 18.7 t -68.56 -30.29 46.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.974 0.416 . . . . 0.0 110.605 -176.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -65.23 -37.87 88.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.592 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -62.37 -38.03 88.02 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.068 0.461 . . . . 0.0 110.626 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.595 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -65.23 -48.0 74.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.117 177.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.503 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 80.8 t80 -58.04 -48.37 80.31 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.624 176.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.89 -50.41 73.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.943 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.483 ' HB2' ' NH1' ' A' ' 27' ' ' ARG . 66.8 t80 -59.18 -43.62 92.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.584 -177.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 91.7 mt -58.89 -36.52 74.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.677 -177.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -94.09 -12.5 28.35 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 121.091 -0.243 . . . . 0.0 111.496 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -80.06 -61.7 1.91 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.015 0.436 . . . . 0.0 110.043 176.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.427 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 42.7 tt0 -157.63 98.98 1.7 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.946 176.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.596 ' HZ3' HD11 ' A' ' 19' ' ' ILE . 63.4 t-105 -98.7 95.91 3.47 Favored Pre-proline 0 C--N 1.314 -0.942 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.006 173.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 42' ' ' GLU . 73.7 Cg_endo -76.84 -18.04 15.21 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.727 2.285 . . . . 0.0 112.663 -174.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.42 -166.0 1.43 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.444 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -133.65 172.71 12.39 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.27 -30.7 0.3 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.077 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.451 ' OD2' ' HG3' ' A' ' 49' ' ' ARG . 24.8 t70 71.58 -102.2 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 122.755 0.422 . . . . 0.0 110.371 173.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.451 ' HG3' ' OD2' ' A' ' 48' ' ' ASP . 86.2 mtm180 -77.07 -21.86 53.74 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.57 177.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.25 -33.53 75.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.428 0.632 . . . . 0.0 109.344 173.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -66.53 -43.64 84.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.817 174.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -66.05 -42.7 89.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.381 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -56.2 -44.07 79.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.886 177.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.05 -49.82 75.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.574 177.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.465 HD21 ' HB2' ' A' ' 39' ' ' LEU . 57.8 mt -59.08 -51.35 70.41 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.302 178.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -55.5 -47.66 75.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.196 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.2 mt -68.82 -37.67 79.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.237 -178.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.503 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 87.5 m -61.03 -45.15 95.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.667 0.27 . . . . 0.0 110.848 177.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.2 ttp85 -70.33 -34.82 73.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.707 0.289 . . . . 0.0 110.712 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.65 -28.62 67.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.92 0.39 . . . . 0.0 110.912 177.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.521 ' HB2' HG11 ' A' ' 32' ' ' VAL . 38.1 m -70.35 -36.0 73.91 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 174.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.683 HD23 HG12 ' A' ' 11' ' ' VAL . 90.0 mt -66.59 -29.53 69.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.056 176.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 84.9 mtp -73.51 -14.0 61.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.551 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.01 13.12 64.83 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.398 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -91.68 -49.96 6.01 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -178.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 87.0 t -84.19 128.53 38.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.501 -177.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.41 156.59 35.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.428 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.3 -42.18 81.87 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.777 -0.647 . . . . 0.0 113.313 -175.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -64.36 -48.93 73.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.639 0.257 . . . . 0.0 110.875 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.0 mt -56.16 -48.6 78.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.751 -178.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.85 -40.73 96.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.153 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.511 ' O ' HG23 ' A' ' 76' ' ' VAL . 10.4 ttt180 -67.99 -52.47 35.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.228 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.9 m -59.04 -39.06 80.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.883 0.373 . . . . 0.0 111.262 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.57 -32.32 71.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.966 178.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -72.41 -30.67 64.85 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 178.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 72' ' ' ARG . 99.5 t -62.3 -42.38 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.066 174.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.17 -37.36 85.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.544 176.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.18 -46.44 73.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.203 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 21.3 p -70.42 -23.09 62.68 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.926 0.393 . . . . 0.0 110.819 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -61.88 -45.03 95.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.07 174.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -77.75 -25.0 48.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.095 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.56 -58.09 7.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.414 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -173.52 -55.36 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.029 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 46.1 t -155.04 99.35 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.229 0.537 . . . . 0.0 110.678 -174.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.639 ' H ' HD23 ' A' ' 85' ' ' LEU . 2.3 pt? -64.28 143.08 58.16 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.859 172.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.567 ' HB2' ' O ' ' A' ' 18' ' ' THR . 95.2 mmm -129.5 171.15 12.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.979 0.419 . . . . 0.0 110.878 -179.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -111.39 -172.59 2.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.276 -177.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.489 ' HB3' HH12 ' A' ' 72' ' ' ARG . 14.3 p-10 -102.14 132.06 48.26 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 172.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.577 ' HG2' ' H ' ' A' ' 91' ' ' GLU . 80.0 tttt -77.0 132.83 39.18 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.709 -173.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.31 -20.02 65.98 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.125 0.488 . . . . 0.0 110.581 178.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.577 ' H ' ' HG2' ' A' ' 89' ' ' LYS . 35.5 tt0 -81.04 78.04 7.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.642 176.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.819 ' H ' ' HD2' ' A' ' 93' ' ' PRO . . . -128.05 -51.79 0.03 OUTLIER Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.084 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.819 ' HD2' ' H ' ' A' ' 92' ' ' ALA . 30.2 Cg_endo -63.83 160.94 34.71 Favored 'Trans proline' 0 C--N 1.357 1.006 0 C-N-CA 121.806 1.671 . . . . 0.0 111.396 174.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -66.73 -40.89 88.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.924 0.392 . . . . 0.0 110.017 -176.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -119.07 150.71 39.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.993 175.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 69.2 mt -99.2 118.15 45.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 177.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.81 -48.75 77.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.421 -176.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.3 m -90.51 90.42 8.0 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.028 0.442 . . . . 0.0 110.176 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 140.96 -153.94 24.12 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.56 -177.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.5 m . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.68 -0.676 . . . . 0.0 109.555 177.834 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.5 ttp . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.861 0.362 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -73.43 97.11 2.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.311 0.577 . . . . 0.0 111.581 -176.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.4 m -116.47 154.43 18.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.984 175.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 66.62 98.54 0.05 OUTLIER 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.351 0.596 . . . . 0.0 110.583 -178.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.4 m -62.15 137.93 58.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.233 -174.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 77.6 mtp -78.01 -27.77 48.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.361 173.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.2 mt -98.48 -157.39 0.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.311 -0.859 . . . . 0.0 108.998 173.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.4 mt -89.91 -58.75 2.4 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 174.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -126.68 130.43 50.39 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.53 -0.759 . . . . 0.0 108.955 175.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -90.58 124.27 34.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.707 0.289 . . . . 0.0 110.785 -175.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.673 HG13 ' HB ' ' A' ' 32' ' ' VAL . 7.2 p -126.57 119.71 54.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.542 0.687 . . . . 0.0 110.098 174.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.5 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 96.1 mttt -125.02 165.19 18.61 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.24 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -96.63 143.79 27.27 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -172.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -80.92 -25.12 37.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.125 172.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -126.54 106.04 23.78 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.038 176.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.88 139.73 84.59 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 123.074 2.516 . . . . 0.0 112.548 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.6 t -96.75 119.22 44.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.835 0.35 . . . . 0.0 110.785 -176.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.3 m -98.16 108.31 20.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.997 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.428 ' CG1' ' HE2' ' A' ' 29' ' ' PHE . 19.7 mm -98.3 114.37 35.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.085 178.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 p -81.36 106.69 13.52 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.306 177.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.9 mt -70.03 167.43 17.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.564 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -65.6 -13.39 58.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.331 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -84.51 6.43 23.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.642 177.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.57 32.83 67.42 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.894 -0.669 . . . . 0.0 111.594 -178.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -119.04 119.0 32.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 120.519 0.2 . . . . 0.0 111.05 -176.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 6.1 Cg_exo -75.22 108.24 2.66 Favored 'Trans proline' 0 N--CA 1.463 -0.265 0 C-N-CA 123.163 2.575 . . . . 0.0 111.891 176.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -102.85 112.06 24.68 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.3 mt -94.81 128.23 46.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.563 -172.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.428 ' HE2' ' CG1' ' A' ' 19' ' ' ILE . 36.4 m-85 -106.69 141.38 38.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.629 176.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -106.57 -21.14 13.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.062 0.458 . . . . 0.0 110.667 -177.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.5 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -127.94 157.46 21.1 Favored Glycine 0 N--CA 1.442 -0.924 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.673 ' HB ' HG13 ' A' ' 11' ' ' VAL . 54.5 t -68.6 -30.55 47.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 120.752 0.31 . . . . 0.0 110.861 -177.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -62.42 -41.04 98.41 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.829 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -59.48 -42.18 91.51 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.248 0.547 . . . . 0.0 110.1 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.538 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -65.65 -47.6 74.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.708 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -60.84 -47.93 84.12 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.938 178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -58.3 -47.06 84.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.205 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -55.91 -47.46 77.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.196 178.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 95.5 mt -60.2 -41.25 92.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.445 -178.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -79.81 -26.92 40.36 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.337 -176.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -79.8 -63.89 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.115 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -150.82 80.82 1.33 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.313 0.578 . . . . 0.0 111.246 -176.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.526 ' HB2' ' HA ' ' A' ' 39' ' ' LEU . 32.1 t-105 -93.41 112.68 57.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.149 172.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 43' ' ' TRP . 17.8 Cg_exo -69.07 22.99 0.15 Allowed 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 123.725 2.95 . . . . 0.0 114.466 -175.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.422 ' HB3' ' NE1' ' A' ' 43' ' ' TRP . . . -135.1 115.66 13.68 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 175.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 44.4 mtm-85 -107.35 157.33 18.04 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.416 0.627 . . . . 0.0 111.642 -174.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.444 ' O ' ' HB3' ' A' ' 48' ' ' ASP . . . 170.25 -98.59 0.14 Allowed Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 110.393 -1.083 . . . . 0.0 110.393 175.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.444 ' HB3' ' O ' ' A' ' 47' ' ' GLY . 11.9 p-10 175.12 -49.81 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 122.804 0.442 . . . . 0.0 109.876 174.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.553 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 68.8 mtm-85 -62.26 -66.59 0.52 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.705 -178.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.56 74.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.858 0.361 . . . . 0.0 111.277 -177.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.421 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 10.5 t60 -65.0 -44.84 87.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.995 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -67.11 -46.62 73.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.041 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.553 ' HG3' ' O ' ' A' ' 49' ' ' ARG . 96.4 mt-30 -54.67 -51.74 64.53 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.571 -178.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.81 -41.5 86.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.49 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 51' ' ' HIS . 89.3 mt -66.55 -45.04 80.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.081 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -65.74 -35.97 82.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.678 -177.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 93.6 mt -60.35 -49.23 78.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.678 177.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 44.9 m -67.14 -30.16 70.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.097 0.475 . . . . 0.0 110.743 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.9 ttt85 -70.98 -39.29 72.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.469 176.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.53 -38.4 89.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.436 ' OG ' HG11 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -64.64 -34.81 79.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.557 0.218 . . . . 0.0 111.128 176.807 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.67 HD23 HG12 ' A' ' 11' ' ' VAL . 47.7 mt -67.95 -19.13 64.93 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.109 0.481 . . . . 0.0 110.743 176.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 87.4 mtp -95.72 3.67 53.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.329 178.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.88 28.05 65.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.187 -0.53 . . . . 0.0 112.359 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -98.31 -58.37 1.99 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.137 0.494 . . . . 0.0 109.978 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.6 t -87.52 129.69 38.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.316 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -115.83 116.69 28.45 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -174.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 48.48 -102.88 0.06 OUTLIER Glycine 0 C--N 1.334 0.446 0 CA-C-N 115.264 -0.88 . . . . 0.0 115.269 167.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.468 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 7.6 mm-40 -57.61 -31.98 66.76 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -174.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 59.3 mt -60.53 -47.44 92.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.141 0.496 . . . . 0.0 110.071 178.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 75' ' ' PHE . . . -70.9 -36.62 72.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.46 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.468 ' HB3' ' HA ' ' A' ' 69' ' ' GLU . 7.6 tpp85 -58.97 -54.36 48.05 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.981 178.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 m -67.93 -35.83 79.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.122 0.487 . . . . 0.0 111.079 -176.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.97 -34.43 66.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.287 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.461 ' CE2' HD11 ' A' ' 39' ' ' LEU . 11.0 t80 -62.89 -40.95 99.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.125 0.488 . . . . 0.0 110.004 179.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 89.4 t -65.54 -37.68 80.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.525 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.9 -37.4 87.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.2 -40.07 68.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.141 0.496 . . . . 0.0 110.789 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.5 m -75.47 -10.41 59.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.874 -178.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -64.25 -25.84 68.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.121 -178.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -65.45 -26.93 68.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.936 0.398 . . . . 0.0 110.69 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.27 -22.47 25.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.969 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 63.04 24.67 14.63 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.05 177.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 38.3 t -119.25 74.86 1.01 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 84.9 mt -108.21 164.66 12.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.557 -174.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 8.5 mmm -132.22 165.44 24.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.145 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -93.53 139.28 30.92 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.246 0.546 . . . . 0.0 111.846 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -76.65 -24.51 53.29 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 122.182 0.992 . . . . 0.0 108.67 170.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -63.0 -47.83 81.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 113.846 -1.524 . . . . 0.0 112.557 -177.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -120.73 125.6 48.03 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -169.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.721 ' HG2' ' HD3' ' A' ' 93' ' ' PRO . 39.6 tt0 -94.33 136.61 34.43 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 171.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.403 ' N ' ' HD3' ' A' ' 93' ' ' PRO . . . -136.52 69.5 60.53 Favored Pre-proline 0 C--N 1.327 -0.385 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -174.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.721 ' HD3' ' HG2' ' A' ' 91' ' ' GLU . 12.9 Cg_endo -95.1 -75.83 0.0 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 122.951 2.434 . . . . 0.0 110.637 166.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -162.12 -49.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 170.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.2 m -105.22 148.03 27.38 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 172.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.9 mm -95.99 133.94 35.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 120.71 0.291 . . . . 0.0 111.017 -172.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.72 87.4 5.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.062 0.458 . . . . 0.0 110.44 175.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.8 p -85.54 114.91 22.91 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.668 -179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -170.75 89.77 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.154 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.42 -0.8 . . . . 0.0 110.11 -179.423 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 121.022 0.439 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' A' ' 4' ' ' GLN . 3.2 mp0 -117.93 177.62 4.71 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -178.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 82.0 t -67.54 -47.51 80.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 171.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.489 ' O ' ' HB2' ' A' ' 2' ' ' GLU . 97.6 mt-30 -96.98 -167.34 1.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.397 -0.82 . . . . 0.0 108.92 171.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 p -124.65 119.97 30.52 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.688 -0.405 . . . . 0.0 111.197 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 66.5 mtm -75.59 152.81 37.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.974 175.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.9 mt -90.4 -20.61 22.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.006 0.431 . . . . 0.0 110.351 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.6 mt -76.07 105.14 6.95 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.361 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -83.09 126.64 32.8 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.448 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -74.08 93.17 2.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.311 0.577 . . . . 0.0 110.1 176.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.0 t -99.28 93.87 3.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.715 177.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.413 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 57.5 mttp -83.41 159.23 21.84 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.583 178.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -100.03 125.84 46.15 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 121.325 0.583 . . . . 0.0 111.257 -175.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -89.29 -19.43 25.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.265 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -128.28 88.53 52.4 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 114.743 -1.117 . . . . 0.0 108.545 173.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.401 ' HB3' ' O ' ' A' ' 29' ' ' PHE . 17.1 Cg_exo -67.54 171.15 12.32 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 123.41 2.74 . . . . 0.0 113.686 -172.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 54.9 t -122.28 136.59 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.674 177.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.44 ' OG1' ' HA ' ' A' ' 88' ' ' ASP . 7.3 m -96.92 104.55 16.57 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.27 -177.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.8 mm -100.4 117.06 45.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.0 t -89.05 122.5 32.45 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.1 mt -87.11 169.56 12.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.056 -177.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -56.84 -38.88 73.28 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.526 -171.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -70.3 -17.34 63.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.862 0.363 . . . . 0.0 111.487 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.35 38.4 3.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.802 -177.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -116.3 114.49 40.7 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-O 120.623 0.249 . . . . 0.0 110.643 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -75.32 105.04 2.01 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.959 2.439 . . . . 0.0 111.755 177.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.2 tpt85 -88.67 104.97 17.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.947 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.1 mt -86.34 114.58 26.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.421 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.401 ' O ' ' HB3' ' A' ' 16' ' ' PRO . 88.8 m-85 -83.5 117.76 23.32 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.214 0.531 . . . . 0.0 111.021 -178.104 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -86.99 -5.28 59.14 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.056 -175.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.413 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -163.04 158.65 31.02 Favored Glycine 0 N--CA 1.443 -0.86 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.721 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.513 HG11 ' HB3' ' A' ' 61' ' ' SER . 24.9 t -67.51 -28.2 41.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.22 0.534 . . . . 0.0 109.898 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.51 ' HA ' HD11 ' A' ' 62' ' ' LEU . 53.6 t80 -59.98 -40.2 88.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.415 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -65.97 -39.21 90.2 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.527 179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.563 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -65.36 -48.91 71.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.803 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.481 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 67.1 t80 -58.87 -41.15 86.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.552 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -61.54 -55.26 32.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.554 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -52.51 -49.64 64.4 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.525 -0.762 . . . . 0.0 112.199 -176.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 65.6 mt -57.5 -25.97 60.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.212 -174.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -82.85 -57.84 3.14 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -175.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -76.26 -36.83 58.27 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.539 -0.465 . . . . 0.0 112.095 -174.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.445 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 19.7 tt0 -147.14 76.07 1.4 Allowed 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.498 -0.881 . . . . 0.0 112.228 -176.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -98.01 98.18 5.2 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 165.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.445 ' HD3' ' O ' ' A' ' 42' ' ' GLU . 21.1 Cg_exo -66.58 -16.89 52.18 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 123.034 2.489 . . . . 0.0 113.459 -173.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.76 174.63 7.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.984 0.421 . . . . 0.0 111.183 -178.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.3 mtm180 -129.7 -173.86 3.14 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.899 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 133.9 -18.38 4.28 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.888 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 69.39 -76.44 0.06 Allowed 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.192 0.597 . . . . 0.0 111.068 175.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.433 ' HA ' ' HB3' ' A' ' 52' ' ' GLU . 20.9 mtm-85 -64.22 -28.97 70.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.804 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.91 93.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.1 0.476 . . . . 0.0 110.409 176.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -74.37 -37.87 63.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.399 177.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.433 ' HB3' ' HA ' ' A' ' 49' ' ' ARG . 31.7 tt0 -56.1 -57.71 11.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.143 175.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.527 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 29.6 tt0 -61.03 -41.25 96.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.889 -178.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.16 -48.88 75.44 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.356 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.8 mt -64.81 -45.21 87.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.905 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -55.96 -47.28 77.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.124 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 60.8 mt -62.61 -50.93 69.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.212 -178.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.481 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 60.8 m -64.0 -35.85 82.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.975 -178.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -63.01 -51.66 65.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.673 179.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.45 -34.14 76.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.285 -178.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.924 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . 23.2 t -63.27 -33.69 76.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.15 -178.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.51 HD11 ' HA ' ' A' ' 33' ' ' TYR . 62.8 mt -96.32 2.57 52.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.593 -176.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 86.8 mtp -130.22 -49.85 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -173.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -150.25 70.08 0.31 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 119.443 -1.36 . . . . 0.0 114.581 -166.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.8 t70 73.41 85.98 0.11 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 164.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.924 ' HB ' ' HA ' ' A' ' 61' ' ' SER . 24.2 t -138.76 126.31 27.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.631 165.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.43 137.29 52.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.345 177.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -54.99 -45.62 80.65 Favored Glycine 0 N--CA 1.452 -0.252 0 CA-C-N 115.961 -0.563 . . . . 0.0 113.152 -175.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 72' ' ' ARG . 32.0 tt0 -71.16 -33.95 70.51 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 122.632 -0.334 . . . . 0.0 110.807 -177.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 62.3 mt -67.0 -45.0 88.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.34 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.422 ' HB2' ' CG1' ' A' ' 66' ' ' VAL . . . -53.18 -39.75 63.87 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.097 174.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.454 HH12 ' CG ' ' A' ' 88' ' ' ASP . 16.6 ttt180 -57.64 -55.15 38.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.072 177.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.0 m -61.22 -41.8 97.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.044 0.45 . . . . 0.0 110.861 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.494 ' HB1' HD13 ' A' ' 57' ' ' LEU . . . -66.0 -37.83 86.92 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.257 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -65.32 -37.64 87.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.467 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.3 t -66.34 -33.19 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.023 0.439 . . . . 0.0 110.279 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.56 -25.95 63.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 177.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.0 -44.27 15.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.619 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.7 p -77.35 -2.89 37.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.323 0.583 . . . . 0.0 110.667 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.621 ' HA ' HD11 ' A' ' 85' ' ' LEU . 45.2 ttt180 -56.66 -28.7 61.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.805 178.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -90.33 0.71 57.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.475 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.67 -18.01 34.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.56 0.219 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 69.6 m-70 71.9 5.05 5.24 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.547 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 82.6 m -123.36 76.95 1.44 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.34 0.591 . . . . 0.0 110.326 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.621 HD11 ' HA ' ' A' ' 80' ' ' ARG . 96.4 mt -106.58 127.77 53.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.857 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 93.2 mmm -128.45 154.15 46.37 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.771 -175.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -69.79 148.32 49.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.793 174.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.454 ' CG ' HH12 ' A' ' 72' ' ' ARG . 9.9 p-10 -86.75 -22.57 25.88 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.839 0.352 . . . . 0.0 110.299 -179.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -89.01 6.38 39.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.889 0.376 . . . . 0.0 110.395 176.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.34 -32.39 62.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.677 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -101.55 118.78 37.65 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.588 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -117.62 99.33 52.33 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.665 178.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -83.66 -179.45 4.18 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.879 2.386 . . . . 0.0 112.464 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -71.43 -52.85 16.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.114 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 43.1 p -128.18 172.35 11.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.75 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 60.7 mt -71.0 -36.05 61.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.131 0.491 . . . . 0.0 110.502 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.7 10.41 4.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.864 -178.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.2 p -123.62 140.42 53.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.783 -0.19 . . . . 0.0 110.713 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 147.44 -63.1 0.44 Allowed Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.29 177.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.428 179.689 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptm . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.705 0.288 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -65.15 162.36 17.22 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.7 t -61.48 -32.78 54.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.368 0.604 . . . . 0.0 109.758 177.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -64.27 -28.82 69.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.142 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 p -96.82 14.5 25.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.883 0.373 . . . . 0.0 111.193 -178.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 68.0 mtt -95.77 5.44 51.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.322 0.582 . . . . 0.0 110.219 177.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.9 mt -118.44 179.04 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.247 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.7 mt -96.74 -11.26 25.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.479 0.657 . . . . 0.0 109.615 177.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.538 ' OD1' ' HB3' ' A' ' 33' ' ' TYR . 35.7 m-80 -136.64 137.69 40.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.068 177.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -55.1 -44.79 75.24 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.415 0.626 . . . . 0.0 110.199 175.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.559 HG21 ' O ' ' A' ' 61' ' ' SER . 62.1 t -124.72 110.36 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.828 176.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -78.31 120.82 23.62 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.114 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.437 ' H ' ' HA2' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -81.88 124.1 29.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.028 -177.497 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -83.39 -20.0 34.99 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.24 0.543 . . . . 0.0 110.515 -179.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.623 ' HD2' ' HG2' ' A' ' 69' ' ' GLU . 30.2 mtpp -100.23 111.92 63.25 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.409 174.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.15 149.09 46.01 Favored 'Trans proline' 0 C--O 1.238 0.484 0 C-N-CA 122.778 2.319 . . . . 0.0 111.926 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.475 HG22 ' HG3' ' A' ' 72' ' ' ARG . 6.0 t -120.18 88.88 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.221 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 27' ' ' ARG . 25.8 m -78.51 94.3 4.93 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 173.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.778 HD11 ' CZ3' ' A' ' 43' ' ' TRP . 12.2 tt -101.23 118.0 47.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.584 -176.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.428 ' HB3' ' SD ' ' A' ' 86' ' ' MET . 9.5 p -98.06 123.0 41.88 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.751 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.3 mp -94.24 153.58 17.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 177.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -60.37 -19.79 57.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.227 0.536 . . . . 0.0 110.438 177.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -69.92 -18.49 63.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.244 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.81 65.52 1.04 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.857 -0.687 . . . . 0.0 111.918 -178.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -165.59 107.24 0.75 Allowed Pre-proline 0 C--N 1.326 -0.417 0 CA-C-O 120.5 0.19 . . . . 0.0 110.991 -177.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.436 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 7.0 Cg_endo -89.93 105.85 0.36 Allowed 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 123.496 2.798 . . . . 0.0 112.107 174.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.439 ' O ' ' HA ' ' A' ' 18' ' ' THR . 24.6 mtp85 -93.16 160.51 14.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.741 177.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.448 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 60.1 mt -126.33 105.95 15.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.678 175.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -73.32 135.85 44.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.853 0.359 . . . . 0.0 110.707 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -90.75 -15.89 29.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.198 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.437 ' HA2' ' H ' ' A' ' 13' ' ' TRP . . . -163.63 171.93 39.41 Favored Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.212 -178.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.575 HG11 ' HB2' ' A' ' 61' ' ' SER . 28.5 t -67.37 -27.74 39.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.965 0.412 . . . . 0.0 110.806 -177.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.538 ' HB3' ' OD1' ' A' ' 9' ' ' ASN . 71.3 t80 -59.61 -44.52 93.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.753 -176.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.45 -49.27 78.46 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.687 176.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.501 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -60.05 -46.95 87.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.742 -175.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -59.57 -45.52 91.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.061 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -69.85 -43.22 72.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.814 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -58.51 -42.89 88.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.25 -177.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.513 ' HA ' ' HB2' ' A' ' 43' ' ' TRP . 95.3 mt -61.14 -34.54 75.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.289 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -76.8 -28.24 55.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.898 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -68.94 -70.15 0.29 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.818 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -162.15 80.44 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.872 0.844 . . . . 0.0 111.361 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.778 ' CZ3' HD11 ' A' ' 19' ' ' ILE . 42.2 t-105 -92.21 116.17 65.99 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.239 173.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.662 ' HD2' ' CE3' ' A' ' 43' ' ' TRP . 68.2 Cg_exo -39.93 -45.76 3.8 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 124.398 3.398 . . . . 0.0 114.746 -175.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.432 ' HB3' ' NE1' ' A' ' 43' ' ' TRP . . . -80.04 103.15 9.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.935 0.397 . . . . 0.0 110.323 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.6 ptt85 -122.16 153.91 38.13 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.765 -175.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.96 -64.97 0.55 Allowed Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 119.848 -1.168 . . . . 0.0 113.779 168.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.469 ' CG ' ' H ' ' A' ' 49' ' ' ARG . 5.0 t70 -103.64 -166.15 1.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.537 0.684 . . . . 0.0 112.052 -164.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.469 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 56.3 mtm180 -68.02 -15.42 63.59 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.111 -0.949 . . . . 0.0 111.806 -173.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.66 -44.48 86.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.007 0.432 . . . . 0.0 110.186 177.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -70.16 -40.77 74.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.573 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -63.85 -48.03 78.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.409 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.587 HE21 ' HG ' ' A' ' 57' ' ' LEU . 25.0 tp60 -64.02 -36.12 82.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.408 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.33 -43.1 92.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.904 0.383 . . . . 0.0 110.336 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.64 -48.53 74.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.621 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -58.41 -44.03 88.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.213 -178.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.587 ' HG ' HE21 ' A' ' 53' ' ' GLN . 89.3 mt -60.44 -50.41 73.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.763 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 63.4 m -62.89 -38.88 92.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.763 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -62.43 -49.39 75.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.582 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.454 ' HB1' ' HB3' ' A' ' 65' ' ' ASP . . . -66.91 -33.25 75.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.012 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.575 ' HB2' HG11 ' A' ' 32' ' ' VAL . 52.5 m -65.3 -36.29 83.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.751 177.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 82.2 mt -68.08 -11.79 59.68 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.832 0.349 . . . . 0.0 111.165 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.4 mmm -106.03 8.94 32.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.322 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.37 21.87 76.12 Favored Glycine 0 C--N 1.332 0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.807 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.454 ' HB3' ' HB1' ' A' ' 60' ' ' ALA . 11.5 t70 -87.36 -48.57 7.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.109 0.48 . . . . 0.0 110.495 -177.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.403 ' HB ' ' OG ' ' A' ' 61' ' ' SER . 72.6 t -90.76 134.59 29.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.463 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.67 148.53 51.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.309 175.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -56.37 -45.28 89.24 Favored Glycine 0 CA--C 1.518 0.245 0 CA-C-N 115.971 -0.558 . . . . 0.0 113.589 -173.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.623 ' HG2' ' HD2' ' A' ' 15' ' ' LYS . 39.7 mt-10 -68.3 -41.63 80.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.887 0.343 . . . . 0.0 110.957 -177.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 65.3 mt -55.1 -50.2 65.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.893 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.14 -44.57 91.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.896 -177.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.475 ' HG3' HG22 ' A' ' 17' ' ' VAL . 1.4 ttp180 -71.84 -36.27 70.13 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.585 -172.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.0 m -69.02 -43.64 74.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.869 0.366 . . . . 0.0 110.419 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.28 -29.29 68.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.087 0.47 . . . . 0.0 110.554 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.407 ' CE1' HD12 ' A' ' 19' ' ' ILE . 50.9 t80 -59.71 -45.79 91.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.037 175.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 64.8 t -64.69 -33.08 60.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.546 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.75 98.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.683 176.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.69 -24.74 61.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.145 0.498 . . . . 0.0 110.773 177.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.701 ' HA ' ' HZ2' ' A' ' 43' ' ' TRP . 38.9 m -70.06 -17.83 63.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.02 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.695 ' HG2' HD11 ' A' ' 85' ' ' LEU . 98.3 mtt180 -67.43 -23.06 65.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.357 -176.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -72.56 -24.6 61.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.927 0.394 . . . . 0.0 110.603 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.71 -14.31 58.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.048 0.451 . . . . 0.0 109.944 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 61.56 26.4 16.12 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.323 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 51.3 m -127.16 79.7 1.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.021 177.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.695 HD11 ' HG2' ' A' ' 80' ' ' ARG . 96.3 mt -100.08 135.58 41.29 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.865 -175.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.428 ' SD ' ' HB3' ' A' ' 20' ' ' SER . 80.1 mtp -136.07 105.44 6.05 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.281 170.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -63.95 131.52 47.91 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -68.47 158.53 33.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.474 0.654 . . . . 0.0 111.983 -167.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.408 ' H ' ' HG2' ' A' ' 89' ' ' LYS . 12.3 pttm -88.54 -8.03 55.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.768 -174.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.04 11.0 26.75 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.195 0.522 . . . . 0.0 110.372 176.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -123.58 142.5 50.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.29 177.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 61.53 89.53 0.1 Allowed Pre-proline 0 C--O 1.233 0.21 0 O-C-N 123.642 0.589 . . . . 0.0 110.448 -174.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -56.59 -25.23 58.09 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.613 2.875 . . . . 0.0 113.992 -172.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -83.33 -3.61 57.66 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -176.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 84.9 m -70.95 -48.74 51.71 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.043 0.449 . . . . 0.0 110.544 177.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 27.4 pt -91.99 142.6 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.221 0.534 . . . . 0.0 111.395 -176.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.17 139.24 38.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.326 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.5 m -138.75 109.96 6.88 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.247 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 74.82 -132.01 13.38 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.822 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.2 p . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.793 -0.622 . . . . 0.0 110.333 179.311 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.1 mtp . . . . . 0 N--CA 1.483 1.214 0 CA-C-O 120.655 0.264 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -86.73 -56.98 3.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.057 -177.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.3 t -72.02 -58.29 5.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.435 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -83.29 117.38 22.94 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.167 -0.469 . . . . 0.0 109.903 178.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m -69.5 145.26 52.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.475 -174.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 57.8 ttp -101.43 103.11 14.01 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.635 174.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.6 mt -88.15 157.02 18.95 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.575 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.1 tp -123.77 157.36 34.19 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.753 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -87.02 64.35 8.42 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 178.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -70.44 109.46 4.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.788 0.804 . . . . 0.0 109.943 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.6 t -96.39 139.94 18.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.293 -174.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.0 mtmt -90.8 18.55 6.38 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.097 -176.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.405 ' CZ3' ' HA ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER 63.83 -172.97 0.17 Allowed 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.231 -179.862 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.699 ' HB2' ' HD2' ' A' ' 15' ' ' LYS . 35.2 mt-10 -110.14 -61.9 1.59 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 171.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.699 ' HD2' ' HB2' ' A' ' 14' ' ' GLU . 5.3 mptt -108.64 122.28 40.7 Favored Pre-proline 0 N--CA 1.448 -0.554 0 CA-C-N 114.4 -1.273 . . . . 0.0 109.11 177.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.32 154.49 46.54 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 123.229 2.619 . . . . 0.0 112.593 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.552 HG22 ' HG3' ' A' ' 72' ' ' ARG . 61.5 t -104.56 127.77 58.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.855 -178.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.3 m -105.56 101.62 11.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.587 175.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' A' ' 26' ' ' PRO . 12.6 tt -98.31 116.08 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.24 0.543 . . . . 0.0 110.415 -176.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.1 t -82.36 119.74 24.54 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.504 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.4 mt -89.3 -177.57 5.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.139 -177.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -59.55 -33.26 71.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.514 . . . . 0.0 112.157 -173.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -85.24 3.99 36.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.585 0.231 . . . . 0.0 111.102 -178.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.26 9.72 81.49 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.037 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.472 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -88.65 116.64 66.85 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 120.487 0.184 . . . . 0.0 110.598 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.51 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 17.7 Cg_endo -90.36 114.91 0.51 Allowed 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.238 2.625 . . . . 0.0 112.732 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -94.74 128.2 41.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.155 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 63.2 mt -101.47 122.31 53.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.481 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -93.68 139.12 31.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.42 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -86.18 -24.49 26.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.694 -177.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.76 -178.86 25.1 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 111.603 -0.599 . . . . 0.0 111.603 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.567 HG11 ' HB3' ' A' ' 61' ' ' SER . 15.7 t -72.98 -29.14 28.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.763 0.316 . . . . 0.0 110.997 -176.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -62.58 -46.39 88.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.83 -177.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -60.49 -35.56 76.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.449 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -67.75 -49.27 63.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.821 178.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.421 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 91.8 t80 -63.37 -38.45 91.18 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.45 178.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -64.9 -44.11 90.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.558 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -59.62 -41.67 90.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.751 178.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 95.2 mt -59.86 -31.1 69.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.247 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -87.24 -32.54 19.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.877 -177.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 86.0 m-70 -94.44 -78.4 0.44 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.861 0.362 . . . . 0.0 111.958 -176.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -107.77 33.41 4.09 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.099 0.778 . . . . 0.0 113.099 -167.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.439 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 76.3 t-105 -64.32 108.4 1.9 Allowed Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 170.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 43' ' ' TRP . 68.8 Cg_endo -94.66 30.01 0.23 Allowed 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 123.494 2.796 . . . . 0.0 114.103 -167.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -150.14 -177.01 5.68 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -92.4 -138.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 174.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.92 -51.34 0.83 Allowed Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 -175.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.468 ' HB3' ' H ' ' A' ' 49' ' ' ARG . 1.5 t70 60.82 -88.7 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 114.039 -1.08 . . . . 0.0 111.424 171.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.468 ' H ' ' HB3' ' A' ' 48' ' ' ASP . 50.3 mmm-85 -64.58 -48.94 73.11 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.488 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.17 -28.85 68.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.174 0.512 . . . . 0.0 110.758 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.479 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 78.3 t60 -64.43 -40.84 96.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.093 178.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 48' ' ' ASP . 44.6 mt-10 -66.95 -39.71 87.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.841 178.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.508 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 80.2 mt-30 -61.41 -44.46 97.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.344 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.96 -39.93 87.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.916 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 51' ' ' HIS . 96.0 mt -61.24 -46.79 88.94 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.576 177.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -59.22 -43.89 92.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.516 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 73.2 mt -65.9 -48.66 70.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.318 -177.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.421 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 64.7 m -62.03 -40.63 96.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.733 0.301 . . . . 0.0 110.621 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -65.93 -40.98 91.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.25 -32.67 73.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.032 0.444 . . . . 0.0 110.771 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.567 ' HB3' HG11 ' A' ' 32' ' ' VAL . 22.8 t -69.4 -32.7 71.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.91 176.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.2 mt -73.48 -4.5 34.15 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-O 121.113 0.482 . . . . 0.0 110.849 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 82.3 mtp -100.73 -13.78 18.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.001 174.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.57 0.31 64.83 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 121.028 -0.606 . . . . 0.0 113.093 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -84.71 -13.84 50.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.012 0.434 . . . . 0.0 111.152 -177.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.498 HG13 ' HB ' ' A' ' 70' ' ' ILE . 86.8 t -113.74 111.39 35.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.856 176.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.65 89.7 6.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.236 -175.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.51 -91.01 0.01 OUTLIER Glycine 0 CA--C 1.522 0.47 0 O-C-N 124.068 0.855 . . . . 0.0 115.151 167.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -43.87 -44.7 7.13 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 123.995 0.918 . . . . 0.0 112.846 -174.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.498 ' HB ' HG13 ' A' ' 66' ' ' VAL . 60.5 mt -55.77 -45.57 79.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.997 0.427 . . . . 0.0 111.327 -177.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.04 -34.16 71.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.1 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.552 ' HG3' HG22 ' A' ' 17' ' ' VAL . 13.9 ttp180 -68.91 -49.52 57.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 110.727 -178.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.4 p -65.02 -41.19 95.54 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.208 -178.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.82 -35.12 76.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.363 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -63.43 -42.83 98.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.987 0.422 . . . . 0.0 110.523 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 66.9 t -65.06 -35.07 74.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.296 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.77 -28.29 68.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.028 177.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.24 -36.39 58.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.967 0.413 . . . . 0.0 110.673 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.7 t -70.26 -10.4 58.81 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.32 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -59.11 -43.1 91.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.547 176.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -76.93 -9.37 58.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.22 -177.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.21 -3.92 57.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.11 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 65.39 27.24 11.92 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.778 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 35.7 t -154.98 99.42 2.11 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-O 121.545 0.688 . . . . 0.0 110.129 -176.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 97.4 mt -103.7 168.15 9.33 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.08 -0.963 . . . . 0.0 109.942 175.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 57.0 ttp -65.18 -24.87 67.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.312 0.577 . . . . 0.0 110.231 177.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -80.97 -16.45 53.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.867 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -91.33 112.42 24.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.679 -174.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -81.62 101.04 9.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.774 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.21 -26.57 60.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.023 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -112.5 151.14 30.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.673 178.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -136.74 93.4 13.93 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.818 176.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -71.24 137.07 30.47 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.481 2.121 . . . . 0.0 112.232 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -97.32 -1.41 44.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.143 0.497 . . . . 0.0 110.47 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.3 m -85.81 -10.86 54.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.91 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 11.9 tt -95.78 122.13 46.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.24 0.543 . . . . 0.0 111.181 -177.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -80.77 109.16 15.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.341 173.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.0 p -66.82 -45.7 77.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.769 -175.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 106.81 58.79 0.59 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.386 -175.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.247 0.922 0 CA-C-O 119.217 -0.42 . . . . 0.0 110.467 179.899 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.9 mtm . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -74.88 -36.09 62.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.079 0.466 . . . . 0.0 110.019 175.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.3 t -95.45 135.25 30.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.33 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -89.57 141.3 28.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.976 0.417 . . . . 0.0 110.865 -177.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.7 p -98.25 102.87 14.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.909 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 86.9 mtp -106.15 158.52 16.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.222 178.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.0 mt -117.79 152.44 35.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.545 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.597 HD22 ' HA ' ' A' ' 63' ' ' MET . 69.9 mt -88.15 123.45 32.82 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 176.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -94.16 169.43 10.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 -173.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -72.9 97.9 2.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.313 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.706 HG22 HD23 ' A' ' 62' ' ' LEU . 12.0 m -85.45 111.48 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 CA-C-O 121.416 0.626 . . . . 0.0 109.681 177.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.428 ' HD2' ' H ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -82.97 152.28 25.52 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.668 -177.656 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.13 140.96 34.72 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.778 0.323 . . . . 0.0 110.622 -179.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -68.87 -32.13 71.57 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 174.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -133.21 108.88 12.52 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.261 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -50.69 148.92 14.84 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 123.514 2.809 . . . . 0.0 112.901 -179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.543 HG22 ' HG3' ' A' ' 72' ' ' ARG . 39.3 t -113.21 129.82 68.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.72 -177.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.762 HG22 HG12 ' A' ' 28' ' ' ILE . 2.0 p -99.57 97.58 8.55 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.942 0.401 . . . . 0.0 110.44 176.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.946 HD11 ' HZ3' ' A' ' 43' ' ' TRP . 6.3 tt -88.52 106.27 16.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.69 0.757 . . . . 0.0 109.931 -175.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.487 ' HB3' ' O ' ' A' ' 84' ' ' CYS . 8.5 t -78.5 111.05 14.14 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.857 -176.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.2 mt -87.54 154.88 20.27 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.66 176.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -61.03 -16.39 42.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.208 0.528 . . . . 0.0 110.874 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -64.05 -20.27 65.81 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.474 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.5 32.68 4.44 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.237 175.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -156.56 122.54 2.52 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 117.037 0.418 . . . . 0.0 111.214 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.687 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 2.0 Cg_endo -84.41 114.36 1.8 Allowed 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.954 2.436 . . . . 0.0 112.027 172.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -83.73 140.07 32.34 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.762 HG12 HG22 ' A' ' 18' ' ' THR . 21.8 mt -96.14 112.52 28.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.495 -177.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -82.96 143.94 30.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.858 0.361 . . . . 0.0 110.396 177.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -97.04 -29.83 13.41 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.312 0.577 . . . . 0.0 109.986 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.62 162.65 28.27 Favored Glycine 0 N--CA 1.44 -1.065 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.575 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.523 HG11 ' HB2' ' A' ' 61' ' ' SER . 7.0 t -68.18 -21.35 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.331 0.586 . . . . 0.0 110.099 -178.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -60.29 -43.99 95.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.293 178.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -66.78 -42.64 85.7 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.346 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.55 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -60.33 -50.82 72.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.907 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.541 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 77.2 t80 -54.33 -47.17 72.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.888 178.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -66.36 -45.66 79.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.307 -177.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -60.24 -39.76 87.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.672 0.273 . . . . 0.0 111.25 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.0 mt -61.74 -23.62 66.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.477 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -89.99 -26.85 20.14 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.935 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -73.84 -62.94 1.32 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.219 -176.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -160.19 79.0 0.67 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.408 0.623 . . . . 0.0 112.154 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.946 ' HZ3' HD11 ' A' ' 19' ' ' ILE . 60.7 t-105 -84.16 108.54 14.55 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.004 172.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -88.04 33.79 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 123.243 2.629 . . . . 0.0 113.776 -170.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.478 ' HB3' ' CE2' ' A' ' 43' ' ' TRP . . . -129.74 113.92 15.32 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.963 0.411 . . . . 0.0 110.534 178.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -77.65 130.59 37.03 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.304 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.95 -29.03 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.083 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 72.29 -74.46 0.09 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 122.977 0.511 . . . . 0.0 112.35 175.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.2 mtp180 -66.1 -44.25 84.92 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -170.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.64 -37.46 87.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.956 0.408 . . . . 0.0 110.528 177.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -68.57 -39.76 80.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.027 177.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -61.51 -44.33 97.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.917 177.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.499 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 8.0 tt0 -62.11 -46.17 90.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.374 177.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.89 -45.32 74.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.589 -178.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.1 mp -62.65 -44.78 95.4 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.762 0.315 . . . . 0.0 110.989 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.6 ttp85 -61.0 -46.38 91.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.704 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 73.2 mt -58.18 -49.37 77.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.844 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.541 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 79.1 m -65.87 -39.94 91.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.423 -176.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -68.31 -40.19 81.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.789 0.328 . . . . 0.0 110.273 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.65 -31.65 72.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.689 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.523 ' HB2' HG11 ' A' ' 32' ' ' VAL . 30.6 m -67.58 -38.15 83.64 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.181 175.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.706 HD23 HG22 ' A' ' 11' ' ' VAL . 95.0 mt -65.56 -28.63 69.29 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.232 0.539 . . . . 0.0 110.021 176.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.597 ' HA ' HD22 ' A' ' 8' ' ' LEU . 88.1 mtp -81.73 1.03 36.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.668 177.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.94 13.85 80.58 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.645 178.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -85.89 -43.75 12.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.105 0.479 . . . . 0.0 110.436 -175.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.463 HG13 ' HB ' ' A' ' 70' ' ' ILE . 61.8 t -100.53 115.66 42.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.06 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.23 89.65 8.01 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -175.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 63.88 -92.56 0.11 Allowed Glycine 0 CA--C 1.522 0.485 0 N-CA-C 115.259 0.864 . . . . 0.0 115.259 166.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -67.46 -28.9 68.26 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 113.097 0.776 . . . . 0.0 113.097 -167.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.463 ' HB ' HG13 ' A' ' 66' ' ' VAL . 59.0 mt -57.98 -48.95 82.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.403 ' HB2' HG11 ' A' ' 66' ' ' VAL . . . -68.95 -37.02 78.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.423 177.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.543 ' HG3' HG22 ' A' ' 17' ' ' VAL . 31.1 ttt-85 -57.29 -54.16 49.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.898 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.8 m -63.48 -39.85 95.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.252 -177.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.44 -33.62 73.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.025 179.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -66.88 -37.58 84.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.217 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 72' ' ' ARG . 90.4 t -63.02 -41.12 91.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.334 177.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.07 -36.87 85.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.03 -37.88 72.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.393 176.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.5 m -66.05 -21.25 66.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.735 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.825 ' HG3' HD21 ' A' ' 85' ' ' LEU . 50.9 ttt180 -67.9 -22.44 65.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.84 0.352 . . . . 0.0 110.45 178.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -71.79 -25.71 62.12 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.13 -8.21 57.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.169 175.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 66.52 20.35 10.85 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.112 177.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.487 ' O ' ' HB3' ' A' ' 20' ' ' SER . 56.1 m -135.82 86.19 2.22 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.825 HD21 ' HG3' ' A' ' 80' ' ' ARG . 3.7 mm? -78.24 166.79 22.3 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.645 179.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.627 ' HG2' ' O ' ' A' ' 18' ' ' THR . 65.3 mtm -47.7 133.97 13.18 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.804 174.067 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -67.61 -50.6 57.32 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.28 -178.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 54.64 32.98 18.27 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.286 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.456 ' NZ ' ' HB2' ' A' ' 89' ' ' LYS . 10.3 mtmp? 67.87 101.1 0.05 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.063 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -143.05 144.71 32.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.937 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -86.72 134.01 33.62 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.973 0.416 . . . . 0.0 110.812 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -137.76 108.68 8.46 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.44 4.55 3.84 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.811 2.341 . . . . 0.0 111.912 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -88.61 -27.77 21.11 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.017 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.7 m -76.99 -40.33 47.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.791 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 59.4 mt -112.99 118.7 58.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.211 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.34 131.61 51.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.819 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.5 m -128.07 101.4 6.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.679 -177.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -86.12 97.97 2.26 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.906 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.447 -0.787 . . . . 0.0 110.124 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 120.502 0.192 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -89.92 -50.97 5.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.954 0.406 . . . . 0.0 110.276 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 55.4 t -84.18 124.57 39.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.32 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -91.95 154.22 18.96 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.369 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.9 m -81.78 150.06 28.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.662 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 55.1 ttp -67.35 -35.0 78.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.254 178.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 98.7 mt -80.72 110.43 16.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.223 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.6 mt -95.9 135.99 36.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.288 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.435 ' O ' HG23 ' A' ' 11' ' ' VAL . 3.5 p-10 -93.66 45.34 1.15 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.976 0.417 . . . . 0.0 110.934 178.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -67.52 92.02 0.3 Allowed 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 172.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 9' ' ' ASN . 22.1 t -90.21 105.79 16.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -178.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -64.59 144.33 57.29 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.006 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -86.8 117.43 25.54 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 172.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -60.35 -33.78 72.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.208 -175.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.9 tttm -125.28 100.22 32.84 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 168.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -46.85 140.58 12.84 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.817 3.011 . . . . 0.0 113.607 -174.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.0 t -101.0 126.28 54.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.665 -178.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.52 ' O ' ' HB2' ' A' ' 86' ' ' MET . 11.9 m -103.66 117.4 34.3 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.732 177.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.664 HD11 ' HZ3' ' A' ' 43' ' ' TRP . 13.3 tt -107.93 149.35 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -177.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.513 ' HB2' ' HG2' ' A' ' 86' ' ' MET . 22.9 t -103.89 104.57 14.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.829 0.347 . . . . 0.0 110.356 -177.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.4 mp -71.2 167.42 19.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.588 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -64.22 -17.9 64.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.407 0.622 . . . . 0.0 109.885 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -64.35 -21.89 66.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.422 176.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.4 33.88 21.51 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -172.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.458 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -129.87 135.45 27.52 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.405 -0.398 . . . . 0.0 110.813 -176.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 2.5 Cg_endo -85.3 118.6 1.96 Allowed 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.291 2.66 . . . . 0.0 111.773 176.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -106.33 126.29 52.05 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 51.6 mt -97.0 117.57 41.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.929 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -91.35 123.85 35.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.823 176.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -91.51 -21.22 21.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.236 0.541 . . . . 0.0 109.766 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -136.96 155.74 22.89 Favored Glycine 0 N--CA 1.443 -0.839 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.369 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.582 HG11 ' HB2' ' A' ' 61' ' ' SER . 46.8 t -62.72 -31.61 52.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.78 0.324 . . . . 0.0 110.913 -178.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -60.93 -42.8 98.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.193 -178.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.23 -42.15 90.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.066 0.46 . . . . 0.0 110.669 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.598 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -72.56 -43.96 62.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.096 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -59.8 -35.06 73.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.965 -178.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -69.19 -46.25 67.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.971 0.415 . . . . 0.0 109.961 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -59.44 -41.94 90.79 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.503 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 84.6 mt -65.94 -18.4 65.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.072 -176.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -100.84 -0.64 36.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.155 0.502 . . . . 0.0 110.303 178.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -109.22 -61.65 1.6 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.195 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -140.22 60.69 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.006 -171.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.664 ' HZ3' HD11 ' A' ' 19' ' ' ILE . 75.0 t-105 -81.58 104.08 2.7 Favored Pre-proline 0 C--N 1.329 -0.326 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 168.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -66.57 -38.26 19.6 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 123.216 2.61 . . . . 0.0 114.446 -165.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.648 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . . . -95.2 148.56 22.26 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.05 0.453 . . . . 0.0 111.308 -174.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 46' ' ' ARG . 48.3 mtm180 -81.34 -168.5 1.87 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.731 177.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.429 ' HA3' ' HB3' ' A' ' 50' ' ' ALA . . . 142.32 -18.45 2.48 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.833 -178.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.8 t0 63.63 -81.38 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.031 0.532 . . . . 0.0 111.322 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 68.0 mtp85 -74.07 -20.76 60.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.619 0.247 . . . . 0.0 110.453 178.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.429 ' HB3' ' HA3' ' A' ' 47' ' ' GLY . . . -66.77 -40.71 88.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.217 0.532 . . . . 0.0 109.586 172.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -70.1 -43.56 70.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.218 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -61.5 -43.9 98.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.204 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.45 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 8.6 tt0 -60.57 -40.34 91.3 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.643 0.259 . . . . 0.0 110.826 -178.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.494 ' HB1' HD13 ' A' ' 39' ' ' LEU . . . -57.85 -48.05 80.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.821 178.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.3 mp -70.37 -37.25 74.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.56 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.9 tpp85 -53.21 -52.22 59.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.921 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 64.5 mt -65.57 -48.7 71.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.4 -176.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 63.2 m -64.83 -34.76 79.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.325 -177.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -62.97 -42.28 99.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.886 0.374 . . . . 0.0 110.469 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.87 -26.49 57.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.132 0.491 . . . . 0.0 111.053 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.582 ' HB2' HG11 ' A' ' 32' ' ' VAL . 44.9 m -74.2 -34.34 63.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.4 mt -70.33 -12.72 61.78 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.794 0.331 . . . . 0.0 111.006 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 66.6 mtt -82.05 -14.89 55.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.002 175.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.25 5.77 79.34 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.247 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -82.57 -39.54 22.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.792 0.33 . . . . 0.0 110.853 -179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.9 t -90.17 124.34 42.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 177.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.09 98.64 10.21 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -172.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.95 -100.72 0.05 OUTLIER Glycine 0 CA--C 1.52 0.348 0 N-CA-C 115.118 0.807 . . . . 0.0 115.118 167.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.41 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 46.5 mt-10 -62.34 -28.11 69.52 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 -172.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 66.0 mt -59.15 -44.65 92.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.18 0.514 . . . . 0.0 109.659 175.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.59 -36.59 76.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.641 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.57 ' O ' HG23 ' A' ' 76' ' ' VAL . 10.1 ttt180 -59.59 -58.12 9.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.936 -179.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.4 m -62.93 -36.78 84.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.384 -176.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.89 -41.87 86.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.624 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -63.12 -38.62 91.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.184 177.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.6 HG13 HD22 ' A' ' 85' ' ' LEU . 92.6 t -60.7 -37.72 76.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.59 177.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.08 89.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.95 0.405 . . . . 0.0 110.935 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.07 -47.91 40.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.973 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.428 ' HB2' ' O ' ' A' ' 84' ' ' CYS . 6.2 p -67.78 -23.6 65.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.764 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 51.2 ttp180 -59.58 -45.68 91.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.496 174.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -62.5 -35.01 78.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.538 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.648 ' HB1' ' HB3' ' A' ' 45' ' ' ALA . . . -88.57 -3.64 58.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.351 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 60.23 56.6 3.21 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.371 0.605 . . . . 0.0 111.348 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 79' ' ' SER . 51.0 t -136.73 80.74 1.84 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.216 176.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.6 HD22 HG13 ' A' ' 76' ' ' VAL . 95.1 mt -130.47 136.03 48.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.843 -173.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.52 ' HB2' ' O ' ' A' ' 18' ' ' THR . 86.9 mmm -114.36 109.45 18.36 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 169.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -75.85 143.19 41.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.968 -175.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.93 147.15 53.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.75 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.514 ' O ' ' HB3' ' A' ' 93' ' ' PRO . 88.9 mttt -77.84 11.57 2.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.248 0.547 . . . . 0.0 111.213 -176.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -84.07 -13.34 53.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.893 173.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -99.43 104.41 16.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.84 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 50.84 70.52 1.96 Allowed Pre-proline 0 N--CA 1.466 0.335 0 O-C-N 123.746 0.654 . . . . 0.0 111.981 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.514 ' HB3' ' O ' ' A' ' 89' ' ' LYS . 66.4 Cg_endo -87.78 -175.12 1.36 Allowed 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.796 2.331 . . . . 0.0 112.591 -177.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -117.66 123.56 46.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.458 175.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 26.3 m -64.93 -44.16 90.42 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.112 0.482 . . . . 0.0 110.083 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.622 HG12 ' H ' ' A' ' 98' ' ' SER . 8.5 tt -91.88 128.1 43.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.968 177.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.91 -21.06 65.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.018 0.437 . . . . 0.0 111.348 -177.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.622 ' H ' HG12 ' A' ' 96' ' ' ILE . 6.9 m -95.46 14.98 20.89 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.159 178.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -74.88 102.96 1.48 Allowed Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.568 -178.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 C--O 1.249 1.04 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.731 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.6 mtt . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -105.28 136.75 44.23 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 176.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.416 HG11 ' O ' ' A' ' 8' ' ' LEU . 17.9 t -104.12 133.37 48.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.924 0.392 . . . . 0.0 111.465 -172.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -72.35 -62.57 1.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.953 177.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.8 m -103.38 112.73 25.75 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 175.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 85.9 mtp -71.47 3.08 4.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.207 -171.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 89.7 mt -65.88 -28.89 69.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.202 0.525 . . . . 0.0 109.715 170.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.416 ' O ' HG11 ' A' ' 3' ' ' VAL . 64.3 tp -97.52 131.35 44.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.08 175.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -89.96 135.78 33.44 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 120.51 -0.476 . . . . 0.0 109.83 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -51.27 -55.13 19.86 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.323 0.582 . . . . 0.0 110.923 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.658 HG13 ' HB ' ' A' ' 32' ' ' VAL . 2.7 p -130.32 93.89 2.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.047 172.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.568 ' HE2' ' HB3' ' A' ' 30' ' ' ASN . 41.3 tttm -75.96 141.72 42.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.128 -174.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.415 ' H ' ' HA2' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -77.39 136.01 38.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.412 -173.631 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.452 ' HG2' ' HA3' ' A' ' 68' ' ' GLY . 10.2 pt-20 -64.34 -39.7 94.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.485 173.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 54.8 mttp -128.34 100.66 22.61 Favored Pre-proline 0 N--CA 1.447 -0.605 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.088 178.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -47.64 154.87 1.64 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 123.937 3.091 . . . . 0.0 113.716 -178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.562 HG22 ' HG3' ' A' ' 72' ' ' ARG . 53.1 t -126.86 127.89 70.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.243 -172.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.437 HG23 HG12 ' A' ' 28' ' ' ILE . 13.1 m -108.35 126.31 52.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.146 177.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.7 tt -119.0 144.41 27.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.496 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.0 t -104.61 134.82 47.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.771 0.32 . . . . 0.0 110.684 176.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.2 mp -84.54 176.66 8.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.198 172.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -59.46 -29.79 68.06 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -174.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -93.64 1.23 56.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.157 0.503 . . . . 0.0 110.372 -174.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.23 71.9 1.3 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.153 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.35 110.06 8.93 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -74.84 109.24 2.88 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.944 2.429 . . . . 0.0 112.794 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 -100.45 120.67 40.34 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.59 172.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.437 HG12 HG23 ' A' ' 18' ' ' THR . 53.7 mt -106.94 124.69 62.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -177.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -102.49 136.47 42.25 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.932 -178.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.568 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . 28.5 m-80 -84.18 -19.47 34.02 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.415 ' HA2' ' H ' ' A' ' 13' ' ' TRP . . . -158.02 177.69 34.64 Favored Glycine 0 N--CA 1.439 -1.12 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.219 -178.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.658 ' HB ' HG13 ' A' ' 11' ' ' VAL . 47.8 t -62.91 -39.81 86.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 C-N-CA 123.075 0.55 . . . . 0.0 111.077 -176.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -60.26 -41.04 92.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.97 -172.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -64.07 -36.64 84.68 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.48 178.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.6 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -64.88 -43.25 93.53 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.459 176.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.458 ' HA ' HD12 ' A' ' 39' ' ' LEU . 85.1 t80 -62.95 -43.06 99.81 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.09 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -66.21 -40.97 90.73 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.417 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -60.21 -45.27 93.75 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.413 175.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 95.0 mt -54.32 -31.6 54.62 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.732 178.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -87.52 -33.0 19.12 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.196 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -87.32 -90.38 0.12 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.064 -173.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -98.86 24.66 7.41 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -169.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.541 ' HB2' ' HA ' ' A' ' 39' ' ' LEU . 70.4 t-105 -75.24 108.9 6.32 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 174.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -93.39 -0.0 3.43 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.096 2.531 . . . . 0.0 113.652 -173.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 82' ' ' ALA . . . -82.78 105.97 14.24 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.254 0.55 . . . . 0.0 111.245 -176.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 46' ' ' ARG . 42.4 mtm-85 -80.34 152.56 28.88 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.246 178.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 157.32 -26.53 0.48 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.639 -177.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 t70 73.48 -71.69 0.13 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.674 0.789 . . . . 0.0 111.897 174.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.419 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 78.8 mtm180 -61.64 -50.83 70.94 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 121.281 -0.168 . . . . 0.0 111.264 -178.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.24 -32.58 68.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.284 0.564 . . . . 0.0 110.506 176.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -68.54 -46.53 69.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.354 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -62.88 -37.15 85.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.279 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.525 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 90.2 mt-30 -57.71 -45.28 85.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.741 0.305 . . . . 0.0 110.523 178.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.32 92.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.469 HD12 HD13 ' A' ' 39' ' ' LEU . 10.9 mp -67.26 -41.31 85.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.805 178.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.0 tpt85 -58.95 -42.05 88.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.818 178.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 44.8 mt -64.64 -43.79 92.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.529 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.492 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 84.1 m -68.25 -42.58 79.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.825 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.49 ' O ' ' HG3' ' A' ' 63' ' ' MET . 41.8 ttm180 -62.55 -38.1 88.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.665 178.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.86 -36.41 83.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.193 0.521 . . . . 0.0 110.609 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.568 ' HB2' HG11 ' A' ' 32' ' ' VAL . 20.1 m -71.9 -35.02 69.6 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.36 178.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 95.1 mt -67.39 -26.53 66.49 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.355 177.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.49 ' HG3' ' O ' ' A' ' 59' ' ' ARG . 89.7 mtp -69.48 -26.43 64.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.245 0.545 . . . . 0.0 109.697 173.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 97.49 6.54 57.42 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.439 -0.8 . . . . 0.0 113.318 175.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -106.38 24.92 11.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.501 0.65 . . . . 0.0 110.813 -175.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.454 ' HB ' ' HA ' ' A' ' 61' ' ' SER . 78.6 t -132.59 133.83 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.44 177.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.01 148.88 35.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.849 173.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.452 ' HA3' ' HG2' ' A' ' 14' ' ' GLU . . . -56.73 -49.85 67.5 Favored Glycine 0 N--CA 1.452 -0.276 0 CA-C-N 116.114 -0.493 . . . . 0.0 113.736 -172.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -65.77 -25.9 67.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.019 0.41 . . . . 0.0 111.913 -175.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.4 mt -62.2 -52.44 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 176.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.23 -37.09 84.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.125 175.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.562 ' HG3' HG22 ' A' ' 17' ' ' VAL . 38.5 ttp85 -60.03 -48.82 80.15 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.78 0.324 . . . . 0.0 111.03 -179.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.6 m -62.1 -44.84 95.77 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.839 -177.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.74 -27.43 64.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.509 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -69.62 -34.03 73.48 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.982 0.42 . . . . 0.0 110.083 178.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.8 t -67.85 -35.67 73.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.285 0.564 . . . . 0.0 109.802 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.93 -38.44 90.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.747 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.74 -42.11 82.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.236 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.8 p -71.96 -16.65 62.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.929 0.395 . . . . 0.0 111.156 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 80' ' ' ARG . 41.4 ttt-85 -67.71 -33.08 74.17 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.215 175.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? -64.29 -36.84 85.43 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.321 0.582 . . . . 0.0 109.752 177.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . . . -77.98 -8.27 57.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.676 176.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 61.34 23.71 13.91 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.727 -177.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 67.7 m -117.78 75.43 0.99 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.374 0.607 . . . . 0.0 110.248 -177.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 97.1 mt -94.54 148.47 22.22 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.458 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 12.5 tpt -84.32 -4.2 58.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.433 0.635 . . . . 0.0 109.661 177.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -85.3 146.53 27.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.294 175.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -99.92 129.0 45.95 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.994 0.426 . . . . 0.0 110.653 -179.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -147.93 97.01 2.74 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.74 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.36 49.02 0.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.152 0.501 . . . . 0.0 111.285 -177.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -129.96 26.44 5.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.435 -177.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.452 ' C ' ' H ' ' A' ' 94' ' ' ASN . . . -77.66 144.69 69.72 Favored Pre-proline 0 C--N 1.319 -0.752 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.404 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 92' ' ' ALA . 16.9 Cg_exo -68.54 29.83 0.15 Allowed 'Trans proline' 0 CA--C 1.535 0.539 0 C-N-CA 123.672 2.914 . . . . 0.0 113.204 179.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . 0.452 ' H ' ' C ' ' A' ' 92' ' ' ALA . 85.0 m-20 -91.41 -25.35 19.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.899 178.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 57.3 p -130.73 178.23 6.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.522 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.8 pt -90.42 6.48 4.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.924 0.392 . . . . 0.0 110.678 177.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.18 -38.32 90.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.266 -176.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.0 p -76.72 106.4 8.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.186 0.517 . . . . 0.0 110.691 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 123.66 26.25 1.62 Allowed Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.798 -177.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.735 -0.65 . . . . 0.0 109.985 179.456 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.483 1.18 0 N-CA-C 110.259 -0.275 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -59.6 -46.01 90.22 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 172.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.9 m -123.23 176.36 5.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.422 173.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -111.04 146.97 35.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.267 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 p -67.98 -33.08 73.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.374 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 89.6 mtp 62.92 32.32 15.75 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.163 0.506 . . . . 0.0 111.146 176.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.5 tp -82.1 -3.17 54.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.291 0.567 . . . . 0.0 110.457 -177.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.6 mt -78.32 -16.27 57.89 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.293 -178.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 60.17 37.0 20.97 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 109.468 -0.568 . . . . 0.0 109.468 -175.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -69.06 111.6 5.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.761 -171.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.616 HG23 ' HB ' ' A' ' 32' ' ' VAL . 1.3 m -84.87 110.52 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.833 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 168.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -75.05 129.56 37.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.415 -172.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.75 141.4 37.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.426 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -79.25 -64.35 1.21 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 175.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' A' ' 15' ' ' LYS . 21.1 mmtt -99.2 108.48 50.09 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.368 169.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.438 ' HB3' ' HA ' ' A' ' 30' ' ' ASN . 57.3 Cg_endo -70.29 166.66 27.53 Favored 'Trans proline' 0 CA--C 1.528 0.22 0 C-N-CA 123.433 2.755 . . . . 0.0 113.212 -176.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.478 HG22 ' HG3' ' A' ' 72' ' ' ARG . 46.0 t -104.39 132.86 50.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.594 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.8 m -102.67 110.25 22.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.879 0.371 . . . . 0.0 111.038 179.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.435 ' CG1' ' HE2' ' A' ' 29' ' ' PHE . 29.2 mm -111.48 114.34 46.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.24 177.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.5 p -90.49 123.4 34.15 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.66 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.2 mt -82.95 176.57 9.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.642 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -58.41 -28.96 65.72 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.058 0.456 . . . . 0.0 111.686 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -75.33 -2.46 28.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.337 -177.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.31 26.44 57.39 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.519 -176.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.422 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -105.88 110.58 64.24 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 120.715 0.293 . . . . 0.0 110.546 -178.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 4.8 Cg_exo -78.98 107.92 2.31 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 123.374 2.716 . . . . 0.0 112.183 178.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -88.03 122.42 31.61 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.68 174.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.1 mt -104.52 109.23 26.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.761 -178.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.573 ' HD1' ' HG2' ' A' ' 34' ' ' GLU . 35.5 m-85 -90.45 111.6 22.92 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.594 -175.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.438 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 34.1 m-80 -95.4 8.35 43.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.754 -177.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -147.08 141.38 9.33 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 176.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.616 ' HB ' HG23 ' A' ' 11' ' ' VAL . 57.3 t -61.91 -37.22 77.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 117.057 0.428 . . . . 0.0 110.93 -177.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -60.43 -36.7 78.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.857 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.573 ' HG2' ' HD1' ' A' ' 29' ' ' PHE . 85.2 tt0 -63.48 -40.73 97.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.931 0.396 . . . . 0.0 110.303 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.55 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -66.63 -44.64 81.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.353 176.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.444 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 92.9 t80 -58.32 -45.6 87.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.654 178.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -60.76 -47.37 86.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.404 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -56.98 -44.95 83.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.556 178.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.1 mt -60.61 -30.58 69.92 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.833 -177.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -96.9 -8.86 29.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.814 0.34 . . . . 0.0 111.569 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -93.14 -69.36 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.889 178.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -144.15 77.31 1.54 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.917 0.389 . . . . 0.0 111.63 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.422 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 61.9 t-105 -82.23 121.65 78.8 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 170.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 43' ' ' TRP . 17.2 Cg_exo -69.2 36.71 0.21 Allowed 'Trans proline' 0 N--CA 1.481 0.776 0 C-N-CA 123.479 2.786 . . . . 0.0 113.637 -178.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -169.36 172.96 6.86 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -75.77 -82.36 0.07 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 172.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.909 ' HA3' ' HB2' ' A' ' 51' ' ' HIS . . . 124.71 -49.17 0.92 Allowed Glycine 0 N--CA 1.443 -0.858 0 C-N-CA 120.507 -0.854 . . . . 0.0 112.727 171.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.548 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 9.8 m-20 51.9 -120.66 1.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.905 0.415 . . . . 0.0 110.649 -177.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 49' ' ' ARG . 43.5 ttm180 -56.86 -45.18 82.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.673 0.273 . . . . 0.0 110.864 -178.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.38 84.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -176.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.909 ' HB2' ' HA3' ' A' ' 47' ' ' GLY . 57.9 t-80 -71.19 -44.81 64.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.268 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.622 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 11.0 mm-40 -68.95 -45.34 71.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.865 -177.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.483 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 92.6 mt-30 -56.37 -44.15 79.88 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-O 120.545 0.212 . . . . 0.0 110.757 176.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.3 -45.57 84.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.025 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.41 HD11 ' CE1' ' A' ' 51' ' ' HIS . 94.1 mt -61.72 -43.64 98.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.649 178.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.622 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 73.9 mtp180 -63.75 -39.71 94.95 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.855 -179.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 83.2 mt -65.21 -42.27 93.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.763 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.444 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 75.3 m -64.41 -38.95 92.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.507 177.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' A' ' 63' ' ' MET . 39.0 mtp85 -67.69 -38.51 83.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.98 179.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.48 -34.33 75.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.149 0.499 . . . . 0.0 110.562 176.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.496 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 19.8 m -68.53 -37.8 80.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.41 177.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 88.9 mt -73.09 -6.67 47.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.077 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.464 ' HG3' ' O ' ' A' ' 59' ' ' ARG . 66.7 mtt -98.86 -20.63 16.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.817 178.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.79 5.19 55.38 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.885 -175.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -78.25 -32.37 49.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.42 0.628 . . . . 0.0 109.466 177.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 61' ' ' SER . 48.5 t -125.58 131.77 71.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.306 175.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.54 -30.83 61.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.296 0.57 . . . . 0.0 110.481 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.415 ' H ' HG12 ' A' ' 66' ' ' VAL . . . 135.42 -24.92 3.33 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.802 177.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.429 ' HG3' ' H ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -64.37 -47.98 77.22 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.796 0.331 . . . . 0.0 111.15 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 71.7 mt -66.14 -40.6 87.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.003 0.43 . . . . 0.0 109.962 177.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.01 -38.9 93.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.978 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.478 ' HG3' HG22 ' A' ' 17' ' ' VAL . 41.1 ttp180 -62.12 -49.39 76.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.985 0.421 . . . . 0.0 110.55 178.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.6 m -61.57 -41.95 98.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.812 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.85 -35.07 74.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.97 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -62.86 -43.96 97.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.342 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.451 ' O ' ' HG3' ' A' ' 80' ' ' ARG . 91.6 t -62.48 -39.91 86.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.074 177.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.73 -37.55 87.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.97 178.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.0 -35.32 64.41 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.898 0.38 . . . . 0.0 110.878 177.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 t -66.68 -20.85 66.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.086 0.469 . . . . 0.0 110.274 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.889 ' HG2' HD11 ' A' ' 85' ' ' LEU . 86.5 mtt180 -62.67 -36.26 82.3 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.064 174.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -73.13 -27.13 61.5 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.118 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.68 -6.32 58.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.896 178.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 65.29 42.52 3.91 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.811 178.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.7 t -147.87 92.6 2.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.158 0.504 . . . . 0.0 109.862 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.889 HD11 ' HG2' ' A' ' 80' ' ' ARG . 90.5 mt -113.89 126.34 55.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.784 178.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 85.8 mmm -127.09 133.53 50.42 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.255 172.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -94.4 164.54 12.97 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.775 -177.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -69.64 159.56 33.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.993 178.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -79.6 9.45 4.98 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -175.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.79 141.97 58.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.923 0.392 . . . . 0.0 110.422 174.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -85.7 19.32 2.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.414 0.626 . . . . 0.0 110.6 -178.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -165.95 86.62 0.93 Allowed Pre-proline 0 C--N 1.315 -0.892 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.559 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.96 -29.76 91.42 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 123.033 2.488 . . . . 0.0 112.46 -179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -78.81 99.5 6.74 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.5 p -91.07 171.5 9.21 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.216 -177.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 27.3 mm -83.76 62.28 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.563 0.697 . . . . 0.0 109.968 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -159.89 116.65 2.53 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.164 -0.926 . . . . 0.0 109.137 178.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.7 t -140.59 153.1 45.96 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.486 -175.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.83 173.12 44.91 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.995 -0.622 . . . . 0.0 112.051 -179.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 40.5 m . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.825 -0.607 . . . . 0.0 109.893 178.353 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.9 mtp . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 121.058 0.456 . . . . 0.0 110.736 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -96.74 -28.44 14.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.106 0.479 . . . . 0.0 110.087 -176.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.1 t -73.07 -44.02 57.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.529 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 63.34 82.0 0.19 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.493 -176.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 p -94.52 158.45 15.54 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.965 177.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 88.6 mtp -118.49 148.37 42.67 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.97 0.414 . . . . 0.0 111.198 -176.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 65.1 tp -110.93 111.11 22.02 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 175.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.481 ' HB3' HD13 ' A' ' 62' ' ' LEU . 3.2 mm? -95.6 129.24 42.85 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -176.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -77.3 132.09 38.45 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -74.32 93.27 2.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.332 0.586 . . . . 0.0 110.494 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.2 t -80.51 115.84 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 174.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.674 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 57.0 mttp -86.52 154.12 21.33 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.329 0.585 . . . . 0.0 112.083 -173.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.88 151.01 34.05 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.026 -0.988 . . . . 0.0 111.855 -175.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -89.42 -35.14 16.19 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 174.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' HE2' ' OE1' ' A' ' 69' ' ' GLU . 33.8 mttm -119.86 99.01 49.41 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.239 -0.891 . . . . 0.0 108.631 169.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.28 146.95 87.11 Favored 'Trans proline' 0 N--CA 1.474 0.34 0 C-N-CA 123.223 2.616 . . . . 0.0 113.233 -174.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.479 HG22 ' HG3' ' A' ' 72' ' ' ARG . 47.3 t -100.63 130.72 49.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.493 -178.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.408 ' HB ' ' SD ' ' A' ' 86' ' ' MET . 8.0 m -109.77 106.9 16.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.883 177.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.517 ' O ' ' HA ' ' A' ' 26' ' ' PRO . 8.1 tp -89.04 114.12 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -179.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.591 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 16.9 t -83.84 98.93 10.0 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.056 -177.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 71.1 mt -82.45 130.24 35.07 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 175.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -44.64 -55.23 5.4 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 123.842 0.714 . . . . 0.0 111.922 -174.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -116.16 1.18 13.13 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.559 179.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.8 -2.34 55.18 Favored Glycine 0 C--O 1.236 0.238 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.505 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.425 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . 74.72 150.64 0.13 Allowed Pre-proline 0 N--CA 1.468 0.436 0 C-N-CA 123.52 0.728 . . . . 0.0 112.098 176.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.591 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 27.4 Cg_exo -62.96 103.78 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.031 2.488 . . . . 0.0 111.477 173.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -99.85 137.96 37.59 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.605 -178.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.5 mt -96.1 123.31 48.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.929 -174.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -88.58 118.81 28.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.131 175.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -82.37 -38.86 23.56 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.527 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.674 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -125.82 155.11 18.96 Favored Glycine 0 N--CA 1.443 -0.881 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.542 -177.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.52 HG11 ' HB2' ' A' ' 61' ' ' SER . 45.1 t -66.44 -30.95 51.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.033 0.444 . . . . 0.0 109.901 178.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -67.84 -36.47 80.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.761 176.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -64.39 -37.64 88.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.447 178.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.489 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -69.38 -47.22 64.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.478 175.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -55.43 -42.47 74.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.538 177.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -59.8 -46.49 89.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.886 177.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -61.07 -40.62 94.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.995 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.0 mt -60.37 -37.96 82.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.578 -178.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -85.41 -15.38 43.25 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.964 -0.295 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -75.54 -64.33 1.09 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 174.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -174.84 92.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.172 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.6 t-105 -73.98 136.26 76.62 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.679 171.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.439 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 23.9 Cg_endo -61.84 109.8 0.86 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.898 2.399 . . . . 0.0 112.887 177.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 44' ' ' PRO . . . 89.86 175.99 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.93 1.292 . . . . 0.0 111.251 177.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -134.34 -175.87 4.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.298 -174.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 164.82 -98.39 0.15 Allowed Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 175.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.468 ' CG ' ' H ' ' A' ' 49' ' ' ARG . 36.7 p-10 -172.44 -79.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.648 0.261 . . . . 0.0 111.151 177.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.468 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 3.9 mtt180 -76.87 -25.75 53.44 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.507 -170.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.4 -37.32 85.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.247 0.546 . . . . 0.0 110.106 175.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -79.14 -40.61 30.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.674 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.414 ' HB2' ' HA ' ' A' ' 49' ' ' ARG . 66.5 mm-40 -62.16 -53.5 54.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.973 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -64.87 -36.39 84.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.054 -177.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.13 -47.39 81.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.874 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.21 -42.55 88.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.81 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 66.2 mtt85 -61.98 -46.46 89.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.276 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.2 mt -65.89 -39.3 90.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.924 -179.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.584 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 75.0 m -63.97 -44.97 91.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.739 0.304 . . . . 0.0 110.365 176.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -58.45 -48.89 79.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.796 178.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.95 -36.82 77.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.113 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.52 ' HB2' HG11 ' A' ' 32' ' ' VAL . 22.6 m -66.55 -41.98 87.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.379 177.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 71.3 mt -71.4 -15.55 62.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.886 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 85.1 mtp -97.73 5.62 49.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.803 177.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 78.55 8.23 87.72 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.211 -0.519 . . . . 0.0 113.348 176.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -88.94 -21.02 23.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.944 0.402 . . . . 0.0 110.708 -177.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 86.1 t -124.76 136.73 59.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.519 175.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.68 -32.13 65.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.35 . . . . 0.0 111.483 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 137.27 -47.98 0.93 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.114 -1.041 . . . . 0.0 113.232 174.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.498 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 36.9 mt-10 -63.03 -29.75 71.06 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -175.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 72.1 mt -57.85 -45.38 87.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.129 0.49 . . . . 0.0 110.107 174.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.85 -30.48 65.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.524 178.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.498 ' HB3' ' HA ' ' A' ' 69' ' ' GLU . 11.9 ttt85 -60.79 -54.11 49.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 177.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.5 m -63.7 -35.0 79.11 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.109 0.481 . . . . 0.0 110.816 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.03 -30.97 65.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.194 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -62.32 -43.01 99.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.213 0.53 . . . . 0.0 109.63 178.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 82.9 t -63.39 -39.82 86.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.424 176.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.87 -39.76 94.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.937 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.85 -32.31 72.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.005 0.431 . . . . 0.0 110.733 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 40.0 m -69.23 -13.13 62.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.066 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -68.38 -34.47 76.09 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.187 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -65.58 -34.57 78.55 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.111 0.481 . . . . 0.0 110.371 178.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.52 -13.19 57.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.357 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 61.75 20.41 11.37 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.444 -177.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.2 t -103.43 60.79 0.76 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.314 0.578 . . . . 0.0 110.386 -173.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.0 mt -88.43 140.47 29.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.317 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.408 ' SD ' ' HB ' ' A' ' 18' ' ' THR . 56.7 ttp -66.4 -40.55 89.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.583 -178.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -66.62 130.41 43.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.001 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -60.12 -25.2 65.28 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.731 -171.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -51.35 -44.74 62.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.717 174.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 55.25 -98.16 0.08 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.653 -174.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -142.09 106.27 4.78 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 177.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.56 129.78 76.04 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.627 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.26 -7.08 20.33 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.672 2.248 . . . . 0.0 112.487 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -141.37 143.64 34.09 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.0 m -68.75 -61.47 1.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.912 0.387 . . . . 0.0 111.865 -175.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 13.5 tt -88.97 153.75 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.287 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.48 121.35 26.65 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 52.5 m -64.31 132.58 50.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.391 178.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 122.35 0.49 10.35 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -175.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.363 -0.827 . . . . 0.0 109.996 179.763 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.56 ' SD ' HD21 ' A' ' 8' ' ' LEU . 55.3 ttm . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 121.045 0.45 . . . . 0.0 110.025 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.567 ' HG2' HG13 ' A' ' 3' ' ' VAL . 43.4 tt0 -63.38 -55.25 25.92 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.252 -177.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.567 HG13 ' HG2' ' A' ' 2' ' ' GLU . 27.7 m -127.0 158.85 37.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.183 -179.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.464 ' HG2' ' SD ' ' A' ' 1' ' ' MET . 87.8 mt-30 -112.52 115.15 28.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.024 0.44 . . . . 0.0 110.562 -179.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 t -89.74 -179.45 5.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.259 -178.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 66.6 mtm -73.28 -7.93 53.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.862 0.363 . . . . 0.0 110.929 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 76.9 mt -73.96 -3.34 28.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.842 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.56 HD21 ' SD ' ' A' ' 1' ' ' MET . 8.9 mp -95.67 7.5 46.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.08 0.467 . . . . 0.0 110.505 176.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -90.0 142.04 28.09 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.842 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.06 107.26 4.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 174.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.0 t -82.5 111.43 18.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.587 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 87.2 tttt -67.24 136.27 54.7 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.127 -175.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -67.73 144.21 55.54 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.861 175.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -58.41 -44.16 88.94 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.474 ' HD2' ' HA ' ' A' ' 15' ' ' LYS . 7.7 tptm -131.56 108.75 14.57 Favored Pre-proline 0 N--CA 1.446 -0.639 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.723 171.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -49.51 151.7 6.94 Favored 'Trans proline' 0 CA--C 1.532 0.409 0 C-N-CA 124.232 3.288 . . . . 0.0 113.937 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.3 t -105.87 139.17 27.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.972 -176.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.8 m -101.1 117.83 35.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.667 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.1 mm -105.34 125.6 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.471 177.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.9 m -86.47 96.63 10.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.006 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.91 149.36 47.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.342 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -70.41 8.93 0.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.863 -178.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -109.06 9.66 26.26 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.42 50.03 8.67 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.0 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -140.94 114.58 7.09 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.708 0.29 . . . . 0.0 111.48 -177.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.88 94.36 1.06 Allowed 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 123.105 2.537 . . . . 0.0 111.627 175.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -90.11 116.63 28.27 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.018 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 60.4 mt -98.9 120.91 48.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.317 -177.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -95.91 120.7 36.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.253 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -80.08 -45.35 18.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.125 0.488 . . . . 0.0 109.861 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.587 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -111.7 160.4 13.23 Favored Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.915 -174.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.509 HG11 ' HB3' ' A' ' 61' ' ' SER . 61.8 t -67.44 -32.46 57.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.401 -0.4 . . . . 0.0 111.072 -178.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -73.13 -36.8 66.77 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.639 -0.425 . . . . 0.0 110.169 -177.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -57.25 -46.46 83.01 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.135 0.493 . . . . 0.0 110.127 177.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.531 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -67.18 -46.45 73.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.849 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.497 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 49.1 t80 -57.76 -43.14 85.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.96 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -66.61 -43.48 84.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.584 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -59.73 -43.4 94.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.317 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.3 mt -58.17 -29.33 65.52 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.461 -178.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -88.93 -34.36 16.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.286 -177.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -75.11 -73.1 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.127 -178.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -140.08 76.97 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.209 0.528 . . . . 0.0 112.036 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -86.74 123.09 71.23 Favored Pre-proline 0 C--N 1.32 -0.696 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 168.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -34.75 -64.72 0.14 Allowed 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 124.352 3.368 . . . . 0.0 114.494 -174.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.29 110.03 8.1 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 74.2 mtt85 -51.17 -81.61 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.734 0.646 . . . . 0.0 112.074 -174.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.52 -98.25 0.56 Allowed Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 120.159 -1.02 . . . . 0.0 112.973 174.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -168.96 -143.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.348 -0.426 . . . . 0.0 109.954 -173.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -51.7 -33.35 33.92 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 122.981 0.512 . . . . 0.0 111.43 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.94 -35.9 77.95 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 120.829 0.347 . . . . 0.0 111.469 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -74.89 -38.29 61.91 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -66.21 -38.72 88.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.044 178.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.518 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 26.5 tt0 -56.39 -49.94 73.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.657 175.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.41 -38.2 76.89 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.002 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.83 -48.84 72.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.59 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 56' ' ' ARG . 52.7 mtm-85 -61.88 -41.83 98.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.315 -179.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 92.7 mt -56.52 -50.35 72.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.837 178.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.497 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 57.1 m -67.74 -41.73 82.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.629 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -61.48 -46.53 89.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.977 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.429 ' HB1' ' HB3' ' A' ' 65' ' ' ASP . . . -76.93 -23.75 52.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.41 -178.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.509 ' HB3' HG11 ' A' ' 32' ' ' VAL . 14.5 t -67.74 -38.09 83.03 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.9 mt -68.5 -27.04 65.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.228 0.537 . . . . 0.0 110.452 177.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 51.4 ttm -79.62 -9.36 59.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.398 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 86.65 10.16 73.63 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.21 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.429 ' HB3' ' HB1' ' A' ' 60' ' ' ALA . 36.5 t70 -85.16 -48.91 8.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.055 0.455 . . . . 0.0 110.212 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.43 HG12 ' H ' ' A' ' 68' ' ' GLY . 63.1 t -88.66 127.72 41.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.668 175.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -75.07 20.44 0.14 Allowed 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -175.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.43 ' H ' HG12 ' A' ' 66' ' ' VAL . . . 77.02 -55.23 3.52 Favored Glycine 0 CA--C 1.52 0.39 0 C-N-CA 121.175 -0.536 . . . . 0.0 113.582 175.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -56.23 -47.9 77.55 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.555 0.342 . . . . 0.0 111.372 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 62.3 mt -59.88 -38.4 76.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.854 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.409 ' HB2' HG11 ' A' ' 66' ' ' VAL . . . -65.21 -37.5 87.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.837 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.9 ttm105 -61.79 -50.3 72.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.816 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.9 m -59.95 -48.64 80.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.309 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.46 -25.07 61.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.36 -177.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -64.87 -49.75 69.31 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 175.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.457 ' O ' ' HG3' ' A' ' 80' ' ' ARG . 93.8 t -61.41 -43.59 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.155 177.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.41 -39.2 75.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.405 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.0 -39.61 63.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.108 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.6 p -69.0 -12.53 61.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.805 -178.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.586 ' HG2' HD11 ' A' ' 85' ' ' LEU . 82.7 mtt-85 -65.3 -33.04 75.04 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.778 0.323 . . . . 0.0 110.2 177.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -62.57 -40.35 96.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.766 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.27 -8.06 58.7 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 63.1 m-70 61.25 25.91 15.83 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.98 -177.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.8 t -89.13 26.0 1.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.78 0.8 . . . . 0.0 109.571 -178.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.586 HD11 ' HG2' ' A' ' 80' ' ' ARG . 88.4 mt -76.2 154.17 35.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.997 -174.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 7.2 tmm? -122.46 95.3 4.58 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 166.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -163.48 -62.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.149 0.499 . . . . 0.0 110.71 -170.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -97.5 140.41 31.97 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.08 176.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -74.82 -52.78 10.5 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.925 178.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 174.41 25.49 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.523 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -128.23 27.67 5.59 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.001 0.429 . . . . 0.0 111.433 -167.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.97 115.24 38.39 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.215 175.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.87 11.75 1.62 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.753 2.302 . . . . 0.0 112.694 -175.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -82.07 -43.95 17.21 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.138 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 36.7 p -121.18 114.15 21.0 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.496 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.512 HG22 ' H ' ' A' ' 98' ' ' SER . 56.3 mt -125.84 145.39 33.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.49 -178.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -53.01 -39.48 63.15 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.957 0.408 . . . . 0.0 110.712 177.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.512 ' H ' HG22 ' A' ' 96' ' ' ILE . 14.6 m -88.04 105.92 17.8 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 173.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -66.24 -44.31 91.14 Favored Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 116.107 -0.497 . . . . 0.0 113.821 -172.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.71 -0.662 . . . . 0.0 110.297 -177.002 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.1 mtp . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 120.643 0.259 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -60.64 114.45 3.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.486 -173.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.9 m -101.42 147.4 8.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 170.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -81.62 71.71 8.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.75 0.786 . . . . 0.0 110.611 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.8 m -152.79 103.41 2.77 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.014 176.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 59.2 mtm -81.55 151.62 27.64 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.806 -175.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 41.4 tp -81.21 -36.99 29.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.531 175.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.6 tp -99.1 116.08 30.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.637 177.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.429 ' O ' HD22 ' A' ' 62' ' ' LEU . 28.9 m-80 -129.92 121.95 27.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.501 -176.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -92.9 102.28 14.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.146 0.498 . . . . 0.0 109.888 175.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.401 ' O ' HG23 ' A' ' 32' ' ' VAL . 62.0 t -89.96 134.75 28.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -177.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.555 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 13.4 mptt -86.89 150.41 24.12 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.877 -178.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.06 158.51 21.41 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.575 178.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -80.91 -59.67 2.58 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 175.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.2 mmtm -93.71 129.2 39.0 Favored Pre-proline 0 N--CA 1.45 -0.461 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.728 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.16 143.3 99.54 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 123.198 2.598 . . . . 0.0 112.804 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.466 HG22 ' HG3' ' A' ' 72' ' ' ARG . 61.8 t -109.32 109.61 29.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.238 179.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.407 HG23 HG12 ' A' ' 28' ' ' ILE . 11.9 m -98.86 112.4 24.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.181 -177.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.1 mm -99.76 115.34 40.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.272 177.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.436 ' HB3' ' HG2' ' A' ' 86' ' ' MET . 5.4 p -89.37 94.76 10.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.135 0.493 . . . . 0.0 110.397 177.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.413 HD21 ' HZ ' ' A' ' 38' ' ' PHE . 94.0 mt -75.88 162.67 27.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.801 -178.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -75.57 8.44 2.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.833 -0.621 . . . . 0.0 112.092 -172.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -92.24 -5.34 52.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.656 173.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.61 46.59 7.23 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -174.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.97 112.28 10.42 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.681 0.277 . . . . 0.0 110.851 -177.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -82.11 94.08 0.91 Allowed 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.721 2.28 . . . . 0.0 111.526 174.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -89.04 114.9 26.16 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.142 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.407 HG12 HG23 ' A' ' 18' ' ' THR . 39.3 mt -96.54 116.69 39.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.273 -178.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -87.25 149.9 24.26 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.686 -178.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -115.59 -33.99 5.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.455 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.555 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -110.71 158.19 14.54 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.152 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.536 HG11 ' HB3' ' A' ' 61' ' ' SER . 44.9 t -79.35 -36.43 17.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.611 0.244 . . . . 0.0 111.074 -179.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -73.97 -37.37 64.51 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.827 -176.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.408 ' CD ' ' H ' ' A' ' 31' ' ' GLY . 8.4 pt-20 -63.85 -28.38 69.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.873 0.368 . . . . 0.0 110.396 176.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.532 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -75.84 -43.62 44.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.198 174.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.452 ' HA ' HD12 ' A' ' 39' ' ' LEU . 90.3 t80 -55.62 -46.17 77.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.762 175.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.53 -42.75 99.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.551 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.413 ' HZ ' HD21 ' A' ' 21' ' ' LEU . 70.3 t80 -57.9 -46.33 85.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.791 176.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 84.2 mt -57.35 -41.82 80.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.631 -178.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -67.6 -44.06 79.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.236 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -75.66 -44.45 42.42 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.887 -173.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -158.8 77.89 0.76 Allowed 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.004 -0.678 . . . . 0.0 112.335 -175.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.507 ' HB2' ' HA ' ' A' ' 39' ' ' LEU . 65.6 t-105 -108.73 119.94 47.65 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 168.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -45.63 -34.91 12.07 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.861 3.041 . . . . 0.0 113.982 -175.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.31 101.21 9.63 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 175.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 46' ' ' ARG . 52.3 mtt85 -99.3 83.02 2.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.597 -173.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.92 -23.41 6.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 119.674 -1.25 . . . . 0.0 114.406 170.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -69.24 163.49 24.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.97 0.414 . . . . 0.0 111.2 -173.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.489 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 0.9 OUTLIER -52.39 -36.28 53.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.879 175.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.03 -37.19 71.41 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.033 0.444 . . . . 0.0 110.547 177.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 26.5 t60 -71.52 -46.79 58.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.707 177.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -59.36 -47.08 86.76 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.809 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' ' 49' ' ' ARG . 89.9 mt-30 -60.37 -48.0 83.65 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.711 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.26 -50.03 62.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.387 -177.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.3 -49.08 73.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.531 -179.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -68.55 -37.65 80.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.184 -173.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.0 mt -69.71 -38.12 76.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.868 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.61 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 89.4 m -63.05 -41.73 99.55 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 175.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.443 ' O ' ' HG3' ' A' ' 63' ' ' MET . 39.8 ttm180 -62.38 -44.36 96.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.744 176.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.43 -28.05 69.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.065 0.459 . . . . 0.0 110.743 179.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.536 ' HB3' HG11 ' A' ' 32' ' ' VAL . 14.0 t -72.58 -42.01 65.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.826 175.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 60.1 mt -62.18 -38.58 89.6 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.493 177.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.443 ' HG3' ' O ' ' A' ' 59' ' ' ARG . 93.2 mtp -69.66 -19.53 63.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.898 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 100.25 23.16 10.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.972 -0.633 . . . . 0.0 113.286 175.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -104.37 -40.02 6.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 122.427 -0.455 . . . . 0.0 111.128 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.4 t -94.35 115.31 32.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 176.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -99.51 91.55 4.96 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -174.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.18 -87.83 0.03 OUTLIER Glycine 0 CA--C 1.522 0.49 0 N-CA-C 115.043 0.777 . . . . 0.0 115.043 168.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -52.27 -43.91 64.67 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.553 0.741 . . . . 0.0 112.352 -171.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.447 ' H ' HD12 ' A' ' 70' ' ' ILE . 3.1 mp -61.12 -45.26 98.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.973 0.416 . . . . 0.0 110.513 -178.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.57 -38.83 84.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.94 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.47 ' O ' HG23 ' A' ' 76' ' ' VAL . 37.9 ttp180 -61.96 -47.81 83.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.624 -178.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 m -65.49 -41.16 93.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.255 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.68 -35.03 78.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.778 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.473 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 5.3 t80 -63.39 -47.55 81.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.712 177.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 72' ' ' ARG . 86.5 t -60.35 -38.03 76.24 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.983 178.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.01 -34.96 75.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.9 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.55 -42.87 58.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.283 176.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.4 m -60.9 -28.35 68.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.405 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.534 ' HG2' HD11 ' A' ' 85' ' ' LEU . 57.8 mtp180 -59.23 -43.28 92.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.9 0.381 . . . . 0.0 111.333 177.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -73.96 -17.7 60.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.803 -176.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.6 -10.45 25.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.429 175.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 65.33 30.14 11.23 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.233 -178.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 66.0 m -103.86 66.35 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.407 0.622 . . . . 0.0 109.862 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.534 HD11 ' HG2' ' A' ' 80' ' ' ARG . 88.8 mt -108.31 140.69 41.22 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.549 -175.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.436 ' HG2' ' HB3' ' A' ' 20' ' ' SER . 8.9 mmm -149.32 178.22 8.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.846 176.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.04 178.22 7.19 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -177.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -62.14 -38.87 90.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.302 0.572 . . . . 0.0 110.151 175.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -86.62 134.13 33.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.944 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.02 166.08 23.77 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -171.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -73.73 127.87 33.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.763 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.424 ' HA ' ' HD2' ' A' ' 93' ' ' PRO . . . -115.27 110.07 45.79 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.588 -177.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 92' ' ' ALA . 18.1 Cg_endo -59.93 -73.36 0.02 OUTLIER 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 123.208 2.605 . . . . 0.0 113.416 -175.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -113.08 138.46 49.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.785 0.326 . . . . 0.0 110.872 -175.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.7 m -133.36 158.41 43.08 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.1 pt -91.15 -178.64 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.832 0.348 . . . . 0.0 111.235 -177.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -94.69 129.29 41.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.065 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.2 t -136.0 145.35 46.02 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.569 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -144.42 -46.38 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.126 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 C--O 1.251 1.163 0 CA-C-O 118.519 -0.753 . . . . 0.0 109.877 179.922 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.1 mtt . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.979 0.419 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -131.08 107.82 9.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.185 -178.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.713 HG12 ' HG3' ' A' ' 4' ' ' GLN . 41.7 t -72.5 122.28 24.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.988 -174.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.713 ' HG3' HG12 ' A' ' 3' ' ' VAL . 87.8 mt-30 66.86 26.95 9.19 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.993 177.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 p -59.73 135.0 57.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.587 178.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 85.7 mtp -73.0 152.51 41.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.782 -174.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 73.5 mt -81.15 125.89 30.8 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.146 -175.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.8 mt -87.99 95.06 9.98 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 173.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -77.51 150.01 34.91 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.605 -175.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -78.54 97.97 5.94 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 177.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.3 t -106.57 139.57 27.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.13 -178.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.533 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 58.1 mttp -95.25 153.71 17.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.072 0.463 . . . . 0.0 111.176 179.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -86.43 141.05 29.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.611 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -70.71 -40.91 72.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.243 0.544 . . . . 0.0 110.008 175.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.557 ' HB2' ' HD2' ' A' ' 72' ' ' ARG . 74.5 mmtt -109.7 122.77 38.25 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.122 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 15' ' ' LYS . 15.9 Cg_exo -67.81 142.81 58.91 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.794 2.329 . . . . 0.0 112.631 -179.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 48.7 t -118.15 122.76 70.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.478 175.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.654 ' HB ' ' HG2' ' A' ' 86' ' ' MET . 23.6 m -108.01 96.21 6.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.22 0.533 . . . . 0.0 110.774 -176.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.425 ' CG1' ' HE2' ' A' ' 29' ' ' PHE . 16.0 mm -88.75 104.52 14.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -176.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.706 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 0.5 OUTLIER -86.73 99.82 12.05 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.847 177.634 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.6 mt -76.42 168.15 20.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.586 -174.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -66.1 -11.15 46.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.642 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -70.21 -14.07 62.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.311 -0.859 . . . . 0.0 110.394 175.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.51 31.17 11.86 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.112 -0.566 . . . . 0.0 112.499 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.456 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -144.47 119.61 5.99 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.667 0.27 . . . . 0.0 111.472 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.706 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 6.8 Cg_exo -75.65 110.16 3.04 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 123.288 2.658 . . . . 0.0 112.089 173.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -95.05 114.86 26.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.215 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.728 HD11 ' HE3' ' A' ' 89' ' ' LYS . 48.7 mt -85.17 119.9 34.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.401 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.425 ' HE2' ' CG1' ' A' ' 19' ' ' ILE . 66.0 m-85 -100.12 109.47 21.75 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.891 176.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -100.55 -10.7 20.76 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 175.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.533 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -115.18 133.7 11.14 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 175.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.513 HG11 ' HB2' ' A' ' 61' ' ' SER . 37.7 t -69.21 -35.74 69.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.966 0.412 . . . . 0.0 110.605 -177.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -66.09 -36.85 84.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.386 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.417 ' OE2' ' HA3' ' A' ' 31' ' ' GLY . 14.0 mt-10 -62.58 -40.98 98.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.839 177.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.482 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -72.3 -34.93 68.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 178.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -57.09 -51.59 68.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.56 177.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.97 -40.66 96.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.837 177.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -57.84 -46.06 85.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.046 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 97.6 mt -63.1 -36.28 83.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.53 -179.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -78.71 -36.69 43.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.798 -178.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -62.37 -67.25 0.43 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.69 -176.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -164.64 89.57 0.51 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.288 0.566 . . . . 0.0 111.934 177.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 65.8 t-105 -85.74 136.51 36.75 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 164.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.4 14.54 0.14 Allowed 'Trans proline' 0 N--CA 1.479 0.624 0 C-N-CA 123.091 2.527 . . . . 0.0 114.18 -176.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -162.4 70.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.277 0.56 . . . . 0.0 109.501 177.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 46' ' ' ARG . 14.7 ptt-85 -104.2 138.52 40.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.502 -177.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.81 -18.18 7.15 Favored Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 -176.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -87.14 145.71 26.32 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.301 -0.449 . . . . 0.0 110.51 -177.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -71.71 -17.18 62.23 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -173.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.52 -40.42 23.2 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -59.91 -37.03 78.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.88 171.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -77.11 -31.6 55.95 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.522 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -54.54 -47.19 73.47 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 174.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.46 -44.35 87.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.588 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.5 tp -59.95 -45.53 92.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.241 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -61.51 -40.62 95.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.643 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.465 HD12 ' HB3' ' A' ' 74' ' ' ALA . 80.5 mt -69.47 -35.68 75.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.012 179.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.653 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 71.9 m -60.02 -43.29 95.38 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 176.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.7 ttt180 -62.73 -45.56 92.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.0 176.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.89 -27.41 67.49 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.498 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.513 ' HB2' HG11 ' A' ' 32' ' ' VAL . 49.6 m -69.36 -36.99 77.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.915 0.388 . . . . 0.0 109.98 176.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 41.1 mt -68.52 -20.38 64.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.535 0.683 . . . . 0.0 109.832 177.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 76.4 mtp -88.65 -1.93 58.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.438 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 71.75 19.31 77.97 Favored Glycine 0 N--CA 1.452 -0.255 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.384 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -95.13 -33.19 12.74 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.13 0.49 . . . . 0.0 110.765 -176.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.524 HG13 ' HB ' ' A' ' 70' ' ' ILE . 93.2 t -111.04 110.59 32.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.091 178.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.47 89.7 7.77 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -175.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.48 -93.96 0.07 OUTLIER Glycine 0 CA--C 1.523 0.539 0 N-CA-C 115.539 0.976 . . . . 0.0 115.539 166.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.486 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 38.4 tt0 -58.37 -29.14 65.78 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -169.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.524 ' HB ' HG13 ' A' ' 66' ' ' VAL . 59.7 mt -60.63 -51.17 76.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.292 0.567 . . . . 0.0 109.964 177.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.68 -37.02 85.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.09 176.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.557 ' HD2' ' HB2' ' A' ' 15' ' ' LYS . 16.7 ttt180 -55.49 -51.21 67.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.7 176.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.7 m -54.43 -46.76 73.3 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.973 -177.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.465 ' HB3' HD12 ' A' ' 57' ' ' LEU . . . -76.41 -30.92 57.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.621 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -64.5 -42.42 95.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.107 0.48 . . . . 0.0 109.783 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 72' ' ' ARG . 95.9 t -64.15 -39.17 84.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.056 176.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.52 -43.29 89.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.955 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.18 -38.85 82.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.99 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.5 m -69.24 -20.19 63.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.064 -178.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -58.74 -36.54 74.49 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.038 0.447 . . . . 0.0 110.558 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -71.53 -16.43 62.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.105 -177.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.68 -4.89 58.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.237 176.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 59.8 m80 60.99 26.94 16.86 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.441 177.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 16.5 t -140.38 87.32 2.13 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.8 mt -97.44 122.71 40.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.632 179.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.654 ' HG2' ' HB ' ' A' ' 18' ' ' THR . 49.1 ttm -159.36 98.46 1.41 Allowed 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.673 -178.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -87.05 -66.33 0.92 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 176.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -90.66 153.73 20.08 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.846 -1.07 . . . . 0.0 108.792 170.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.728 ' HE3' HD11 ' A' ' 28' ' ' ILE . 87.4 mttt -74.7 165.51 25.11 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.122 0.487 . . . . 0.0 111.36 -178.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -84.41 -8.47 58.96 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 170.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.474 ' H ' ' HB3' ' A' ' 89' ' ' LYS . 14.3 mt-10 -82.51 97.05 8.23 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.006 173.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -115.42 102.4 54.43 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 120.802 0.334 . . . . 0.0 111.298 -174.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -71.54 -15.32 30.75 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.84 2.36 . . . . 0.0 111.169 174.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -78.64 78.16 5.1 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.843 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 p -103.63 132.93 49.45 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.922 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 61.1 mt -87.33 119.69 35.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.809 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -87.65 87.84 7.5 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.924 0.392 . . . . 0.0 110.3 179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.9 m -71.11 100.11 1.98 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.005 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -163.75 128.74 1.88 Allowed Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.257 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.086 178.155 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.5 mtm . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 121.2 0.524 . . . . 0.0 109.91 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -137.51 -166.54 1.96 Allowed 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 -178.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 66.8 t -67.77 -31.98 54.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.077 0.465 . . . . 0.0 109.864 175.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -55.18 -68.13 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.662 175.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 m -112.12 109.47 19.2 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 176.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 63.9 mtm -94.03 166.65 12.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.001 -173.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 92.2 mt -85.91 140.24 30.54 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.61 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.562 HD13 ' HE1' ' A' ' 33' ' ' TYR . 87.9 mt -93.7 128.22 39.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.077 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.441 ' HB2' ' O ' ' A' ' 62' ' ' LEU . 46.2 m-80 -84.32 124.6 31.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.032 0.444 . . . . 0.0 110.641 -177.167 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -80.16 110.07 15.23 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.147 177.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.3 t -103.99 116.33 47.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.38 -177.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.2 mttm -67.98 128.44 36.53 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.912 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.563 ' HB3' ' HB3' ' A' ' 16' ' ' PRO . 1.0 OUTLIER -89.8 104.07 16.67 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.151 -176.508 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -65.29 -51.53 60.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.27 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.445 ' HD2' ' HG2' ' A' ' 69' ' ' GLU . 95.6 mttt -112.88 84.37 6.73 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 174.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.563 ' HB3' ' HB3' ' A' ' 13' ' ' TRP . 98.1 Cg_endo -83.38 -173.45 1.65 Allowed 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.97 2.447 . . . . 0.0 113.194 -170.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.543 HG22 ' HG3' ' A' ' 72' ' ' ARG . 88.8 t -113.73 120.38 63.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.543 178.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.2 m -88.54 94.75 9.98 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 170.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.3 tt -88.8 111.43 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-O 121.56 0.695 . . . . 0.0 110.14 -170.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.473 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 19.2 m -83.6 99.83 10.43 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.788 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.9 mp -61.72 155.91 21.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.213 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.57 -15.19 25.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.194 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -81.55 4.45 21.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.021 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.54 37.2 36.04 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.217 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -133.46 109.51 12.35 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 120.683 0.278 . . . . 0.0 111.17 -177.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.473 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 5.8 Cg_exo -80.44 112.62 2.76 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 123.189 2.593 . . . . 0.0 112.064 176.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -97.62 120.75 38.56 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.367 176.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 59.5 mt -88.83 118.89 35.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.282 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -77.69 129.03 35.02 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.483 177.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -86.33 -27.24 24.43 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.404 0.621 . . . . 0.0 109.999 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.38 163.99 28.41 Favored Glycine 0 N--CA 1.441 -0.985 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.57 HG11 ' HB3' ' A' ' 61' ' ' SER . 26.1 t -68.0 -30.22 47.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 -177.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.562 ' HE1' HD13 ' A' ' 8' ' ' LEU . 63.8 t80 -66.71 -37.67 85.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.823 0.344 . . . . 0.0 110.254 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -61.17 -36.82 80.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.242 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.592 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -67.3 -49.81 62.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.62 176.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.442 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 90.4 t80 -55.99 -45.54 78.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.916 178.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -65.3 -44.18 88.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.032 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -59.47 -37.12 77.4 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.818 0.342 . . . . 0.0 111.131 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 94.5 mt -64.36 -30.13 71.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.16 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -84.0 -21.62 31.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.628 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -78.8 -73.78 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -146.56 75.79 1.41 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.02 0.438 . . . . 0.0 111.587 -176.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.481 ' CE3' ' HD2' ' A' ' 44' ' ' PRO . 64.0 t-105 -86.46 126.1 65.44 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 170.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.481 ' HD2' ' CE3' ' A' ' 43' ' ' TRP . 55.7 Cg_exo -35.65 -60.61 0.32 Allowed 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 124.256 3.304 . . . . 0.0 114.461 -175.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -115.83 93.98 4.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.926 0.393 . . . . 0.0 111.172 -178.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 43' ' ' TRP . 90.8 mtm180 -97.65 143.56 28.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.076 -179.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 125.07 -32.49 3.96 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.832 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -90.35 -171.83 3.23 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-O 121.502 0.668 . . . . 0.0 111.376 -174.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 50.8 mtt85 -69.33 -33.21 72.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.73 -176.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.3 -54.38 47.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.019 -178.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.438 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 34.6 t-80 -59.42 -41.76 90.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.776 177.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -63.21 -53.8 47.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.712 -177.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.525 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 86.0 mt-30 -68.8 -31.74 70.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.041 -176.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.414 ' HA ' HD12 ' A' ' 57' ' ' LEU . . . -60.37 -38.44 83.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 110.257 175.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 51' ' ' HIS . 94.7 mt -64.17 -48.41 76.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.176 175.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -57.04 -45.61 83.04 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.214 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 58.3 mt -57.05 -49.79 74.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.571 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 41.3 m -69.12 -41.69 77.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.784 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.1 ttt-85 -59.73 -47.76 84.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.801 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.449 ' HB1' ' HB3' ' A' ' 65' ' ' ASP . . . -65.0 -36.57 84.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.731 178.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.57 ' HB3' HG11 ' A' ' 32' ' ' VAL . 12.6 t -64.6 -32.84 74.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.345 179.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 58' ' ' CYS . 92.6 mt -73.69 -14.95 61.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.178 0.513 . . . . 0.0 110.945 178.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 92.5 mmm -94.75 -4.48 47.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.81 175.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.52 12.52 64.67 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.391 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.449 ' HB3' ' HB1' ' A' ' 60' ' ' ALA . 28.6 t70 -79.77 -34.67 39.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.04 0.448 . . . . 0.0 110.596 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.494 HG13 ' HB ' ' A' ' 70' ' ' ILE . 63.0 t -107.14 132.18 55.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.291 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -80.68 27.89 0.35 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.422 ' H ' HG12 ' A' ' 66' ' ' VAL . . . 78.19 -57.16 4.03 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 120.996 -0.621 . . . . 0.0 113.797 175.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.445 ' HG2' ' HD2' ' A' ' 15' ' ' LYS . 44.4 mt-10 -58.29 -44.41 88.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.753 0.311 . . . . 0.0 111.57 -176.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.494 ' HB ' HG13 ' A' ' 66' ' ' VAL . 71.8 mt -60.62 -35.89 66.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.745 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.79 95.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.647 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.543 ' HG3' HG22 ' A' ' 17' ' ' VAL . 25.5 ttt180 -60.94 -52.88 63.15 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.693 0.282 . . . . 0.0 110.847 178.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.9 m -59.41 -50.05 75.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.351 -176.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.15 -26.92 65.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.361 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.452 ' CE1' HD21 ' A' ' 39' ' ' LEU . 69.4 t80 -68.82 -44.04 74.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.217 178.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 72' ' ' ARG . 73.1 t -61.39 -38.89 81.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.274 178.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.11 94.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.832 177.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.48 -35.74 68.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.778 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.6 m -62.23 -25.26 67.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.028 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.721 ' HG3' HD11 ' A' ' 85' ' ' LEU . 77.3 ttt180 -62.72 -37.39 86.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 42.7 tp60 -71.12 -13.08 61.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.675 -176.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -107.81 2.47 23.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.514 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.2 m80 61.09 21.13 11.56 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.478 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 9.7 t -98.77 62.12 1.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.721 HD11 ' HG3' ' A' ' 80' ' ' ARG . 73.4 mt -103.93 131.5 51.1 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -172.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 52.6 ttp -98.68 133.41 43.05 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 164.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.464 ' C ' ' H ' ' A' ' 89' ' ' LYS . 30.9 mt-10 -69.81 1.77 4.03 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.878 0.695 . . . . 0.0 112.878 -175.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.448 ' HB3' ' O ' ' A' ' 87' ' ' GLU . 21.5 t70 73.43 -33.35 0.26 Allowed 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.173 0.511 . . . . 0.0 110.823 -176.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.464 ' H ' ' C ' ' A' ' 87' ' ' GLU . 78.7 mttt -59.83 -25.84 65.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.522 178.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.19 -26.67 68.62 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.193 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -143.11 90.75 2.22 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.469 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . . . -82.63 119.5 74.71 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.512 -168.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 92' ' ' ALA . 2.9 Cg_endo -86.11 8.41 4.51 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 123.236 2.624 . . . . 0.0 111.789 174.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -78.43 -4.27 47.48 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.744 -178.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.2 p -62.5 -32.91 73.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.239 178.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 58.8 mt -71.13 -40.55 75.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.469 176.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.01 134.24 48.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.763 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 m -67.94 -53.05 29.26 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.931 0.396 . . . . 0.0 110.561 -178.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -109.83 121.05 5.9 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.393 -178.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.654 -0.689 . . . . 0.0 109.906 177.872 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.3 mtp . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 120.766 0.317 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -87.88 -31.8 19.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.044 0.449 . . . . 0.0 110.356 178.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.8 t -122.52 113.8 39.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.445 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -80.23 -56.55 4.14 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.859 179.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.0 m -91.88 110.1 21.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.462 -176.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 64.1 mtt -87.68 91.47 8.76 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.436 176.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 54.1 tp -89.91 136.98 32.72 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 176.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.2 mt -68.71 -62.11 1.53 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.925 0.393 . . . . 0.0 110.958 -176.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -135.38 108.86 7.89 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.153 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -80.77 90.99 5.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.907 0.86 . . . . 0.0 109.954 178.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.0 t -89.9 112.5 24.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.844 -177.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.557 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 95.0 mttt -100.81 159.25 15.35 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 120.935 0.398 . . . . 0.0 111.415 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.86 -174.72 4.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.194 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -58.39 -65.28 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.291 175.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.554 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . 83.8 tttt 174.13 -56.86 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.133 -177.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.554 ' HD3' ' HB3' ' A' ' 15' ' ' LYS . 96.3 Cg_endo -80.27 78.98 3.47 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.828 1.686 . . . . 0.0 113.383 -175.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.505 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 24.2 t -116.56 87.04 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 173.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.569 HG23 HG12 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -103.54 111.0 23.26 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.517 -174.635 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.626 ' O ' ' HA ' ' A' ' 26' ' ' PRO . 10.7 tt -102.17 137.84 28.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.743 178.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.532 ' HB3' ' O ' ' A' ' 84' ' ' CYS . 12.5 t -118.31 138.68 52.22 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.971 0.415 . . . . 0.0 109.91 -178.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.434 HD23 ' HG3' ' A' ' 44' ' ' PRO . 10.3 mp -118.05 171.71 7.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.574 -178.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -66.85 -14.87 63.18 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.166 0.507 . . . . 0.0 110.654 178.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -78.55 -2.1 37.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.65 177.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.71 49.01 52.57 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.376 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.06 100.36 7.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 120.685 0.279 . . . . 0.0 111.425 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.626 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 6.2 Cg_exo -79.93 116.77 3.47 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 123.368 2.712 . . . . 0.0 111.461 174.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' A' ' 18' ' ' THR . 63.0 mtt85 -113.5 143.58 44.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.277 -179.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.569 HG12 HG23 ' A' ' 18' ' ' THR . 63.5 mt -97.87 116.29 40.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.525 177.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -84.93 133.02 34.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.354 -0.384 . . . . 0.0 109.966 175.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -85.03 -34.53 22.29 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.557 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -142.24 178.97 20.47 Favored Glycine 0 N--CA 1.438 -1.168 0 CA-C-N 115.454 -0.794 . . . . 0.0 112.53 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.545 HG11 ' HB2' ' A' ' 61' ' ' SER . 17.6 t -78.29 -24.54 13.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.669 0.271 . . . . 0.0 111.267 -174.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -67.87 -43.51 79.23 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.422 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -59.43 -38.18 80.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.249 177.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.506 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -63.5 -50.8 68.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.711 177.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.544 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 72.2 t80 -63.02 -44.35 96.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.971 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -61.32 -41.68 97.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.225 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -61.63 -47.16 86.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.699 178.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.544 ' HA ' ' HB2' ' A' ' 43' ' ' TRP . 95.0 mt -60.48 -47.5 85.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -67.69 -38.44 83.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.816 -178.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -67.97 -61.24 1.96 Allowed 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.071 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -157.38 85.86 0.93 Allowed 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.354 0.597 . . . . 0.0 111.684 -177.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.625 ' CZ3' HD11 ' A' ' 19' ' ' ILE . 61.3 t-105 -101.04 110.81 62.21 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 168.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.434 ' HG3' HD23 ' A' ' 21' ' ' LEU . 73.2 Cg_endo -74.13 32.37 0.34 Allowed 'Trans proline' 0 N--CA 1.473 0.296 0 C-N-CA 123.372 2.714 . . . . 0.0 113.732 -172.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -145.51 132.78 20.54 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 178.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 mtm-85 -136.53 157.56 46.49 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -179.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -174.84 -98.41 0.11 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.194 -178.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.537 ' OD2' ' HG3' ' A' ' 49' ' ' ARG . 37.6 t70 -149.15 -103.64 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.725 0.263 . . . . 0.0 111.421 -177.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.537 ' HG3' ' OD2' ' A' ' 48' ' ' ASP . 83.6 mtt180 -78.27 -31.33 49.0 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -171.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.7 -31.19 71.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.094 0.473 . . . . 0.0 110.55 179.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 41.8 t-80 -78.45 -42.18 30.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.672 178.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.434 ' O ' ' HG3' ' A' ' 56' ' ' ARG . 98.4 mt-10 -61.31 -48.65 80.39 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.905 178.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -57.41 -43.86 84.11 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.296 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.68 -44.61 77.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.918 0.389 . . . . 0.0 110.809 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.1 mt -66.8 -41.12 88.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.874 179.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 95.5 mtt180 -66.11 -46.86 76.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.201 -178.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 74.8 mt -58.64 -40.86 84.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.544 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 74.0 m -65.5 -47.9 74.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.413 -179.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.2 mtm180 -70.67 -32.27 69.48 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.138 -177.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.33 95.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.108 0.48 . . . . 0.0 110.447 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.545 ' HB2' HG11 ' A' ' 32' ' ' VAL . 26.2 m -62.66 -35.22 78.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.92 179.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.7 mt -68.18 -17.29 64.29 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.59 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 71.5 mtm -97.74 -8.24 29.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.966 0.412 . . . . 0.0 110.614 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.37 7.29 58.25 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.6 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.04 -30.08 70.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.928 0.394 . . . . 0.0 111.132 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.454 HG13 ' HB ' ' A' ' 70' ' ' ILE . 44.2 t -121.5 134.35 65.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.169 -178.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.35 21.66 0.75 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.087 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.43 ' H ' HG12 ' A' ' 66' ' ' VAL . . . 88.93 -45.13 3.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.896 -0.669 . . . . 0.0 113.003 178.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -55.14 -62.41 1.68 Allowed 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.076 0.398 . . . . 0.0 112.076 -177.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.454 ' HB ' HG13 ' A' ' 66' ' ' VAL . 67.4 mt -56.48 -36.43 47.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.178 0.513 . . . . 0.0 110.949 -178.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.86 -36.42 78.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.085 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.452 ' O ' HG23 ' A' ' 76' ' ' VAL . 46.3 ttt180 -66.62 -47.67 71.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.647 0.26 . . . . 0.0 110.912 -176.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 p -70.32 -42.39 72.01 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 120.867 0.365 . . . . 0.0 111.192 -178.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.53 -35.05 79.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.307 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.412 ' HE1' HD12 ' A' ' 19' ' ' ILE . 44.4 t80 -63.09 -45.14 93.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.168 178.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 72' ' ' ARG . 91.6 t -59.56 -39.64 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.481 178.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.6 -43.55 93.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.307 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.34 -32.05 70.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.056 0.455 . . . . 0.0 111.163 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.7 m -74.5 -2.6 26.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.814 -177.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -65.68 -12.62 55.13 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.76 0.314 . . . . 0.0 110.64 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -56.6 -36.14 69.07 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.723 175.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.01 -16.23 62.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.271 -178.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 20.1 m80 59.28 36.22 23.55 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.002 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.532 ' O ' ' HB3' ' A' ' 20' ' ' SER . 22.2 t -160.99 99.15 1.21 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.501 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.607 ' H ' ' HB2' ' A' ' 88' ' ' ASP . 77.1 mt -122.19 178.41 4.94 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.525 177.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 47.3 mtp -66.95 -31.71 72.47 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.419 -0.512 . . . . 0.0 110.167 172.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -96.41 69.37 2.62 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 170.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.607 ' HB2' ' H ' ' A' ' 85' ' ' LEU . 26.3 t70 -140.32 133.01 28.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.047 -179.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -101.15 120.53 40.36 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.718 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.98 -24.59 66.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.994 174.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -71.99 152.23 42.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.279 175.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -112.55 100.89 51.53 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-O 120.878 0.371 . . . . 0.0 110.943 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.76 151.89 36.7 Favored 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 122.851 2.367 . . . . 0.0 111.442 177.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -100.63 -36.33 9.19 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.19 0.519 . . . . 0.0 109.826 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.7 p -100.22 112.84 25.18 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.067 174.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 62.8 mt -122.92 104.73 14.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.631 -173.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.6 95.85 7.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.836 175.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.7 p -74.04 119.58 18.45 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.07 0.462 . . . . 0.0 111.092 -176.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -136.84 -134.26 3.26 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.874 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.1 m . . . . . 0 C--O 1.25 1.091 0 O-C-N 123.947 0.439 . . . . 0.0 110.907 178.833 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -61.54 -45.44 94.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.346 0.593 . . . . 0.0 109.964 176.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.0 t -81.2 112.54 19.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.323 177.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.777 HE22 ' HG2' ' A' ' 59' ' ' ARG . 91.3 mt-30 -112.83 147.78 36.24 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.23 176.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 p -77.65 147.67 35.43 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.703 178.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 25.5 ttt -66.19 -26.45 67.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.282 0.563 . . . . 0.0 109.573 177.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 60.9 tp -88.86 120.03 29.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.715 173.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.2 mt -80.11 144.39 33.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.326 179.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -98.16 141.19 31.39 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.688 -175.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -81.83 95.28 7.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.19 0.519 . . . . 0.0 110.131 178.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.43 HG21 ' O ' ' A' ' 61' ' ' SER . 61.1 t -98.12 110.53 25.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.409 -178.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -82.23 145.3 30.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.106 177.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.26 144.61 31.43 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.731 0.3 . . . . 0.0 110.592 178.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -61.18 -50.04 74.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.823 0.82 . . . . 0.0 108.997 175.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.4 mtmt -127.39 103.79 22.4 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 114.317 -1.31 . . . . 0.0 109.146 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -51.24 147.82 20.1 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.779 2.986 . . . . 0.0 113.034 -176.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.2 t -107.31 125.83 63.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.484 -173.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.5 m -88.2 114.91 25.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.158 177.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.516 ' HB ' ' CE2' ' A' ' 29' ' ' PHE . 13.8 mm -119.78 137.03 54.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.429 178.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.41 ' HB2' ' SD ' ' A' ' 86' ' ' MET . 20.9 t -96.67 116.54 29.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.791 0.329 . . . . 0.0 110.205 179.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.634 ' HG ' ' CE1' ' A' ' 38' ' ' PHE . 7.2 mp -70.86 165.71 22.65 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.031 177.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -59.95 -23.27 63.44 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -72.9 -14.71 61.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.717 0.294 . . . . 0.0 111.033 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.88 58.2 1.73 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.713 -0.756 . . . . 0.0 111.573 -176.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.439 ' HA ' ' HD3' ' A' ' 26' ' ' PRO . . . -144.94 114.56 5.02 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.778 -0.211 . . . . 0.0 110.473 -178.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 25' ' ' ALA . 5.5 Cg_exo -78.21 101.27 1.45 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 123.125 2.55 . . . . 0.0 112.053 178.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -95.9 130.69 42.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.482 176.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.7 mt -93.4 113.22 27.82 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.693 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.516 ' CE2' ' HB ' ' A' ' 19' ' ' ILE . 44.2 m-85 -83.16 118.08 23.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.252 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -83.52 -26.2 30.37 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.789 -177.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -138.24 159.55 25.22 Favored Glycine 0 N--CA 1.442 -0.945 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.687 -178.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.558 HG11 ' HB2' ' A' ' 61' ' ' SER . 48.4 t -62.11 -31.68 52.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.939 0.4 . . . . 0.0 111.056 -177.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -61.33 -41.07 96.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.247 -178.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.33 -41.51 97.15 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.264 0.554 . . . . 0.0 110.206 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.618 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -72.18 -45.27 61.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.092 -179.147 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -60.74 -42.77 98.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.664 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.544 ' O ' ' HD2' ' A' ' 41' ' ' HIS . 20.7 t70 -60.95 -50.84 71.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.896 175.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.634 ' CE1' ' HG ' ' A' ' 21' ' ' LEU . 34.5 t80 -52.48 -43.03 64.75 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.229 178.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 96.2 mt -56.5 -45.64 80.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.685 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -77.04 -17.75 58.57 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.625 -176.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.544 ' HD2' ' O ' ' A' ' 37' ' ' ASP . 34.7 m-70 -84.51 -63.1 1.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.645 177.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -157.02 79.06 0.91 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.015 0.436 . . . . 0.0 111.337 -176.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.57 ' NE1' ' HB3' ' A' ' 45' ' ' ALA . 49.9 t-105 -89.27 113.82 57.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.981 174.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.52 ' HD2' ' CE3' ' A' ' 43' ' ' TRP . 83.0 Cg_exo -49.17 -37.72 39.46 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 123.802 3.001 . . . . 0.0 114.458 -177.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.57 ' HB3' ' NE1' ' A' ' 43' ' ' TRP . . . -82.66 85.72 6.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.466 0.65 . . . . 0.0 110.687 -178.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 46' ' ' ARG . 8.7 ptt180 -101.51 148.49 25.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.872 -177.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.24 -98.04 0.16 Allowed Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -152.35 -80.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.809 0.304 . . . . 0.0 111.167 174.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 39.5 ttt85 -68.13 -35.01 77.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.826 -171.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.68 -40.49 76.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.25 0.547 . . . . 0.0 110.236 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -70.85 -45.43 64.5 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.517 178.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -53.0 -56.83 13.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.405 178.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.488 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 8.7 tt0 -52.14 -47.36 65.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.409 -176.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.61 -47.86 75.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.567 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 39' ' ' LEU . 9.8 mp -72.4 -37.85 68.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.316 -178.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.2 mmt85 -62.0 -40.04 94.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.86 0.362 . . . . 0.0 110.968 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 84.5 mt -64.97 -48.42 74.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.679 178.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 73.2 m -65.83 -34.66 78.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.252 -178.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.777 ' HG2' HE22 ' A' ' 4' ' ' GLN . 37.6 ttt180 -62.11 -41.38 98.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.91 0.385 . . . . 0.0 110.647 177.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.44 -35.2 60.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.817 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.558 ' HB2' HG11 ' A' ' 32' ' ' VAL . 47.2 m -64.64 -31.97 73.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.459 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 48.1 mt -70.63 -8.69 53.62 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.806 0.336 . . . . 0.0 111.79 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.477 ' HG3' ' HG2' ' A' ' 4' ' ' GLN . 92.2 mmm -107.29 -5.27 17.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.062 0.458 . . . . 0.0 110.523 177.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.78 19.38 58.07 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.615 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -75.63 -38.29 59.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.097 0.475 . . . . 0.0 110.662 178.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.2 t -107.33 121.08 59.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.096 -177.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.13 89.67 4.24 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -175.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 50.55 -100.64 0.04 OUTLIER Glycine 0 CA--C 1.521 0.409 0 N-CA-C 115.22 0.848 . . . . 0.0 115.22 166.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.566 ' HA ' ' HB3' ' A' ' 72' ' ' ARG . 42.8 tt0 -58.18 -26.96 63.41 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -173.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 61.8 mt -60.95 -45.99 97.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.889 0.376 . . . . 0.0 110.309 178.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.67 -37.0 79.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.996 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.566 ' HB3' ' HA ' ' A' ' 69' ' ' GLU . 21.6 ttt85 -59.3 -49.19 78.77 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.064 178.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.3 m -66.16 -41.68 90.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.895 0.379 . . . . 0.0 111.069 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.27 -33.06 74.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.024 0.44 . . . . 0.0 110.785 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.442 ' CE1' HD21 ' A' ' 39' ' ' LEU . 39.9 t80 -66.54 -35.81 81.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.806 177.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.554 HG13 HD22 ' A' ' 85' ' ' LEU . 79.3 t -61.07 -39.53 82.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.293 175.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.4 87.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.111 179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.08 -38.35 66.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.117 0.484 . . . . 0.0 110.594 177.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.3 m -67.81 -16.8 64.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.208 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -61.79 -37.11 83.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.077 -178.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -60.86 -43.27 98.61 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.038 0.447 . . . . 0.0 111.094 -178.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.01 -1.17 57.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.904 -178.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 58.39 34.38 23.95 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.48 -177.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.446 ' SG ' HG23 ' A' ' 19' ' ' ILE . 47.2 t -88.45 32.26 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.695 0.759 . . . . 0.0 109.928 -179.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.554 HD22 HG13 ' A' ' 76' ' ' VAL . 90.2 mt -87.29 122.59 31.26 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.162 -176.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.41 ' SD ' ' HB2' ' A' ' 20' ' ' SER . 82.2 mtp -139.68 153.63 47.31 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.303 176.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -81.15 146.29 30.6 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 171.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -71.08 139.63 50.43 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.4 mptt 61.03 31.79 19.86 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 123.577 0.548 . . . . 0.0 110.239 -176.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.64 -33.49 71.6 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.894 -178.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -97.27 99.15 10.62 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 177.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -116.65 125.66 28.2 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.07 -175.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.0 170.08 20.82 Favored 'Trans proline' 0 N--CA 1.463 -0.281 0 C-N-CA 122.885 2.39 . . . . 0.0 112.46 177.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.7 t30 57.02 73.55 0.45 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.124 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.2 m -110.63 151.96 27.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.232 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.2 tp -127.58 104.58 12.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.555 0.693 . . . . 0.0 110.658 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -128.0 -76.39 0.57 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.424 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.2 m -127.85 107.97 10.32 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.355 177.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -78.3 55.15 4.01 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.1 -0.571 . . . . 0.0 112.255 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 33.1 m . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.564 -0.731 . . . . 0.0 109.573 179.246 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ttt . . . . . 0 N--CA 1.481 1.124 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -66.59 128.05 34.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.957 0.408 . . . . 0.0 111.077 -175.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.8 t -115.76 127.46 73.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.792 177.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -72.43 -38.38 68.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.353 -178.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 t -85.85 93.25 8.86 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.255 0.55 . . . . 0.0 110.906 -175.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 71.7 mtm -119.83 113.61 20.85 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 173.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.1 mt -81.76 168.31 18.18 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.342 -173.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.7 tp -67.55 -25.22 65.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.672 179.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -96.07 0.17 51.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.281 178.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -105.17 74.12 1.09 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 171.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.554 HG12 HD23 ' A' ' 62' ' ' LEU . 5.4 p -96.89 126.53 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.542 -171.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.546 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 91.9 mttt -112.4 159.29 18.86 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.379 -178.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.48 135.29 33.55 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.451 0.643 . . . . 0.0 112.429 -174.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -71.86 -29.8 64.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.7 -1.137 . . . . 0.0 108.926 175.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.533 ' HB2' ' HD2' ' A' ' 72' ' ' ARG . 88.8 mttt -129.12 102.94 18.58 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 114.492 -1.231 . . . . 0.0 108.848 173.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.67 145.55 59.1 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.951 2.434 . . . . 0.0 112.784 -177.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.478 HG22 ' HG3' ' A' ' 72' ' ' ARG . 55.4 t -102.94 125.55 57.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.893 179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.761 ' HB ' ' SD ' ' A' ' 86' ' ' MET . 7.3 m -112.18 109.82 19.74 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.046 0.451 . . . . 0.0 110.088 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.5 ' CG1' ' HE2' ' A' ' 29' ' ' PHE . 27.5 mm -106.64 123.32 61.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.409 -177.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 26' ' ' PRO . 15.3 m -85.69 115.8 23.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.979 0.418 . . . . 0.0 110.323 177.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.479 HD21 ' CE1' ' A' ' 38' ' ' PHE . 20.6 mt -71.32 -178.69 2.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.848 179.175 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 47.5 tp60 -64.74 -31.45 72.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.406 -176.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -78.43 5.9 9.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.987 177.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.94 33.97 65.52 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.7 -178.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.57 105.02 56.66 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 120.677 0.275 . . . . 0.0 110.513 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 2.7 Cg_exo -76.53 112.33 3.44 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 123.094 2.529 . . . . 0.0 111.97 178.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.446 HH11 ' HD1' ' A' ' 38' ' ' PHE . 79.2 mtp180 -93.68 125.94 38.57 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.1 mt -88.64 107.9 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.973 0.416 . . . . 0.0 110.45 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.5 ' HE2' ' CG1' ' A' ' 19' ' ' ILE . 30.7 m-85 -90.8 119.1 30.74 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -104.27 -14.57 15.76 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 -177.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.546 ' HA2' ' HA ' ' A' ' 12' ' ' LYS . . . -128.57 149.09 18.23 Favored Glycine 0 N--CA 1.442 -0.926 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.126 177.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.486 HG11 ' HB2' ' A' ' 61' ' ' SER . 50.2 t -68.26 -28.72 41.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.907 0.384 . . . . 0.0 110.825 -177.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.45 ' HA ' HD11 ' A' ' 62' ' ' LEU . 66.5 t80 -65.57 -35.71 81.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.764 0.316 . . . . 0.0 110.263 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -64.53 -40.73 96.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.258 0.551 . . . . 0.0 110.08 179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.573 ' O ' ' HG ' ' A' ' 39' ' ' LEU . . . -67.62 -41.65 83.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.677 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.479 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 90.9 t80 -59.1 -45.55 90.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.37 176.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.57 -43.72 98.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.374 178.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.479 ' CE1' HD21 ' A' ' 21' ' ' LEU . 62.9 t80 -55.79 -45.28 78.24 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.687 179.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 35' ' ' ALA . 89.4 mt -63.68 -19.07 64.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.121 -0.491 . . . . 0.0 112.191 -175.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -97.93 -31.67 12.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.697 0.284 . . . . 0.0 111.543 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -83.01 -39.75 20.86 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.81 -175.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -163.25 84.04 0.49 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.137 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.525 ' HB2' ' HA ' ' A' ' 39' ' ' LEU . 53.7 t-105 -117.4 109.44 42.11 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.085 174.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.89 -32.98 65.65 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.266 2.644 . . . . 0.0 114.068 -175.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.424 ' HB3' ' NE1' ' A' ' 43' ' ' TRP . . . -74.56 107.89 6.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.152 0.501 . . . . 0.0 110.76 -177.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 71.1 mtt-85 -101.35 179.56 4.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.822 -176.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 130.82 -18.27 5.12 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 -175.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 69.0 -53.04 0.58 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.953 0.901 . . . . 0.0 113.119 177.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 70.0 mtm-85 -61.73 -48.37 81.04 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.723 0.297 . . . . 0.0 111.12 -179.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.95 -30.26 68.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.293 0.568 . . . . 0.0 110.54 175.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.412 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 26.3 t-80 -68.63 -45.48 71.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.439 179.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -65.6 -35.06 79.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.226 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.469 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 34.7 tt0 -59.03 -51.81 68.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.411 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.41 91.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.756 179.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.446 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 97.2 mt -62.04 -44.29 97.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.741 177.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 45.7 ttm-85 -62.35 -41.14 98.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.592 -177.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 53' ' ' GLN . 78.0 mt -60.02 -43.95 94.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.444 178.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.479 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 63.1 m -66.03 -42.5 89.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.723 178.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.465 HH11 ' HD2' ' A' ' 59' ' ' ARG . 63.8 mtt180 -60.9 -44.52 97.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.27 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.74 -39.69 92.46 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.835 0.35 . . . . 0.0 110.986 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.486 ' HB2' HG11 ' A' ' 32' ' ' VAL . 16.9 m -63.35 -39.75 95.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.353 0.597 . . . . 0.0 109.982 177.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.554 HD23 HG12 ' A' ' 11' ' ' VAL . 51.8 mt -86.25 9.39 17.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.651 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 58.6 ttp -112.71 -54.86 2.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.278 -176.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -160.28 -66.18 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 119.149 -1.5 . . . . 0.0 114.65 -176.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -132.85 88.48 2.52 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -165.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.542 HG11 ' HB2' ' A' ' 71' ' ' ALA . 55.1 t -140.56 123.94 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.259 165.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.437 ' HB3' HD12 ' A' ' 70' ' ' ILE . . . -85.49 81.92 8.5 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -175.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 35.14 -91.5 0.01 OUTLIER Glycine 0 N--CA 1.469 0.855 0 N-CA-C 116.105 1.202 . . . . 0.0 116.105 167.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -51.54 -34.38 36.26 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.181 0.592 . . . . 0.0 112.213 -176.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.437 HD12 ' HB3' ' A' ' 67' ' ' ALA . 66.5 mt -59.65 -48.35 87.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.844 0.354 . . . . 0.0 110.441 178.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.542 ' HB2' HG11 ' A' ' 66' ' ' VAL . . . -59.58 -34.33 72.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.263 176.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.533 ' HD2' ' HB2' ' A' ' 15' ' ' LYS . 71.9 ttt-85 -63.79 -52.63 59.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.809 0.338 . . . . 0.0 110.586 -178.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.3 m -62.38 -38.67 90.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.062 0.458 . . . . 0.0 110.636 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.06 -34.86 79.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.718 177.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -68.57 -36.61 79.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.061 177.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 75.6 t -65.76 -37.77 80.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.038 0.447 . . . . 0.0 110.361 175.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.55 -30.18 70.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.776 176.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.75 -41.96 25.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.942 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.4 p -73.9 -10.15 59.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.256 -179.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 37.7 ttp180 -62.11 -25.79 67.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.351 0.596 . . . . 0.0 109.486 175.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -70.4 -11.83 61.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.075 178.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.11 -9.54 57.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.836 0.35 . . . . 0.0 110.334 176.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 64.73 25.22 12.98 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.515 176.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 43.2 t -155.24 93.59 1.53 Allowed 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.12 0.486 . . . . 0.0 110.131 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.4 mt -96.58 141.82 29.38 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.345 178.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.761 ' SD ' ' HB ' ' A' ' 18' ' ' THR . 48.5 ttp -71.03 -35.27 71.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.815 0.34 . . . . 0.0 110.918 -178.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -80.62 138.23 36.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.104 -177.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 54.28 64.48 1.81 Allowed 'General case' 0 C--O 1.234 0.241 0 O-C-N 123.898 0.749 . . . . 0.0 110.061 -173.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.8 tttm -127.97 4.53 5.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.178 -176.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -80.96 43.74 0.71 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.648 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 69.92 127.21 0.03 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.059 -177.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -108.99 105.7 57.62 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.042 -177.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -82.2 -22.21 5.08 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.77 2.313 . . . . 0.0 112.486 177.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -135.15 145.53 47.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.832 -179.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 41.7 p -101.39 173.69 6.33 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 177.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.9 pt -69.91 -12.33 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.796 0.332 . . . . 0.0 110.978 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.44 -11.19 59.93 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.483 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 77.7 p -83.89 105.64 14.94 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -124.98 11.29 7.79 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.222 -177.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.3 p . . . . . 0 C--O 1.25 1.088 0 CA-C-O 119.051 -0.5 . . . . 0.0 110.142 178.096 . . . . . . . . 0 0 . 1 stop_ save_