data_2jrm_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 2jrm _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 ' 6' ' ' ARG . . . . . . . . . . . . . 23.7 ttp-105 . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 120.01 -0.043 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -48.18 -62.22 1.59 Allowed 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -172.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -68.33 -19.76 64.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.738 0.304 . . . . 0.0 111.259 -172.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.1 mt -89.76 -34.75 16.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.987 0.422 . . . . 0.0 110.581 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.42 -34.86 73.01 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.119 177.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.4 mtm-85 -91.92 -26.58 18.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.441 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.28 -30.93 71.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.848 171.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -60.02 -42.74 95.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.281 178.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.3 m -79.2 -39.21 33.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.558 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.633 ' HG2' ' HE2' ' A' ' 31' ' ' TYR . 5.8 tp-100 -60.68 -43.36 97.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.72 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.99 -40.36 98.36 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.159 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -60.44 -49.75 76.34 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -63.01 -36.34 83.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.449 178.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.15 -21.92 66.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.969 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.78 -43.23 92.19 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.523 -0.846 . . . . 0.0 111.903 174.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -85.58 -48.38 8.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.227 0.537 . . . . 0.0 110.787 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -98.22 -37.48 9.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.572 -172.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.39 -10.72 83.15 Favored Glycine 0 CA--C 1.51 -0.243 0 C-N-CA 120.285 -0.96 . . . . 0.0 112.451 -169.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 64.93 -64.52 0.16 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.791 0.836 . . . . 0.0 112.656 -177.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.6 m -120.01 176.65 5.32 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -166.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.538 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 9.6 mt-30 -85.56 -5.92 59.23 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.939 178.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -62.96 -21.13 65.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.212 -0.903 . . . . 0.0 110.048 177.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.68 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -101.09 40.28 1.3 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.542 -175.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.1 p -106.67 81.95 0.96 Allowed Pre-proline 0 CA--C 1.543 0.71 0 CA-C-O 121.093 0.473 . . . . 0.0 110.749 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.68 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 48.0 Cg_endo -97.41 41.97 0.1 Allowed 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 123.24 2.627 . . . . 0.0 114.107 -170.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.633 ' HE2' ' HG2' ' A' ' 15' ' ' GLN . 96.9 m-85 -119.36 -105.9 0.38 Allowed 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.73 178.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.55 ' HG2' ' HB2' ' A' ' 35' ' ' ASP . 41.0 tp60 -93.52 177.96 5.86 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 176.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.411 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 76.8 mt-30 -101.62 -75.36 0.59 Allowed 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.93 -0.481 . . . . 0.0 111.176 174.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.5 ' O ' ' HB3' ' A' ' 37' ' ' ARG . 58.5 t -70.51 -46.98 67.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-O 121.5 0.667 . . . . 0.0 111.645 -174.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.55 ' HB2' ' HG2' ' A' ' 32' ' ' GLN . 8.3 m-20 -69.92 -25.99 63.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.934 -178.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 40' ' ' TRP . . . -78.66 -25.03 44.86 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.046 177.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.5 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 22.8 ttt85 -59.09 -53.84 53.79 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 171.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.2 p -70.55 -24.34 62.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.615 -175.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -96.95 -69.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.027 0.442 . . . . 0.0 112.032 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.538 ' CH2' ' HA ' ' A' ' 26' ' ' GLN . 68.4 t90 -61.21 -45.01 96.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.336 -175.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 0.5 OUTLIER -76.07 -21.78 56.35 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-O 121.197 0.523 . . . . 0.0 110.035 -175.164 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.29 -47.81 61.82 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.27 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.89 -34.21 71.25 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.656 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 84.5 t90 -58.06 -53.82 53.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.882 0.372 . . . . 0.0 110.52 178.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 49.2 mtm105 -63.36 -36.62 84.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.094 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -66.31 -50.45 63.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.807 -177.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.427 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.27 -179.539 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 33.0 ttt180 . . . . . 0 C--O 1.22 -0.495 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -58.13 -52.18 66.62 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 122.183 0.992 . . . . 0.0 110.077 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -64.36 -39.49 93.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.143 -1.389 . . . . 0.0 110.941 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.496 ' CD2' ' HA ' ' A' ' 36' ' ' ALA . 79.5 mt -78.98 -22.74 45.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.365 -178.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 5.1 tp10 -60.18 -38.91 84.7 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 172.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -75.76 -41.23 53.76 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 114.502 -1.226 . . . . 0.0 109.485 177.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.82 -33.98 64.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.873 175.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -73.37 -45.76 53.06 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.819 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -70.41 -37.7 74.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.863 0.363 . . . . 0.0 110.339 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -73.0 -29.26 62.89 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.38 -45.83 95.45 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.408 ' CD2' ' HB3' ' A' ' 47' ' ' ALA . 45.5 t80 -56.6 -50.45 71.94 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 175.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -61.95 -35.23 77.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.869 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.54 -20.27 66.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.15 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.63 84.83 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.062 -1.066 . . . . 0.0 111.549 171.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -91.85 -39.01 11.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.554 0.693 . . . . 0.0 109.845 178.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.0 -46.64 11.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.932 -1.031 . . . . 0.0 112.504 -173.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.09 -29.62 6.72 Favored Glycine 0 CA--C 1.51 -0.256 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.666 -170.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 73.4 -43.26 0.55 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.753 0.821 . . . . 0.0 112.64 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 62.5 m -104.91 164.48 11.76 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.981 0.42 . . . . 0.0 111.924 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -77.43 -17.01 58.5 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.108 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -68.51 -3.37 11.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.82 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.567 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -88.01 20.3 3.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.545 177.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 48.5 t -102.12 92.16 2.94 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.139 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.567 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 83.2 Cg_endo -85.81 -14.26 5.39 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.071 2.514 . . . . 0.0 114.668 -175.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.417 ' HE2' ' CD1' ' A' ' 40' ' ' TRP . 2.5 m-85 -70.18 -71.32 0.25 Allowed 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.826 0.822 . . . . 0.0 111.507 -172.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.514 ' HG2' ' H ' ' A' ' 33' ' ' GLN . 43.9 tt0 -149.41 179.62 7.81 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 -176.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.514 ' H ' ' HG2' ' A' ' 32' ' ' GLN . 80.3 mt-30 -98.17 -75.79 0.54 Allowed 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 120.084 -0.646 . . . . 0.0 112.072 173.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 76.9 t -59.79 -58.68 6.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -169.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -70.18 -44.0 69.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.734 0.778 . . . . 0.0 109.362 -174.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.496 ' HA ' ' CD2' ' A' ' 9' ' ' LEU . . . -53.58 -53.21 55.04 Favored 'General case' 0 C--O 1.213 -0.848 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.858 177.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -66.06 -22.24 66.41 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -177.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.5 m -67.87 -32.72 73.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.119 0.485 . . . . 0.0 109.799 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -95.91 -50.29 4.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.345 0.593 . . . . 0.0 111.911 174.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.417 ' CD1' ' HE2' ' A' ' 31' ' ' TYR . 72.7 t90 -69.14 -53.15 21.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.536 -171.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.459 HD22 ' O ' ' A' ' 41' ' ' LEU . 2.6 tt -67.08 -33.27 75.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.734 0.302 . . . . 0.0 110.686 -171.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.11 -47.54 90.3 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.772 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.01 -34.17 65.09 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.69 -0.766 . . . . 0.0 111.645 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -58.25 -53.9 53.04 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.673 0.273 . . . . 0.0 111.169 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 50.2 ttp85 -66.99 -36.9 83.2 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -176.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -59.05 -47.73 84.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.684 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.408 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . . . . . . . . 0 C--O 1.24 0.564 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.078 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 . . . . . 0 C--O 1.222 -0.364 0 CA-C-O 120.495 0.188 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -54.59 -67.29 0.28 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.574 0.702 . . . . 0.0 111.615 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.6 ptt-85 -79.46 -10.56 59.83 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.955 -173.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.504 HD12 ' HB3' ' A' ' 35' ' ' ASP . 64.2 mt -82.23 -33.56 29.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.022 0.439 . . . . 0.0 110.099 172.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -60.66 -38.98 86.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.619 173.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -85.74 -30.25 23.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.689 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.551 ' HB2' ' HB2' ' A' ' 40' ' ' TRP . . . -60.48 -32.88 71.84 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.436 172.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -62.4 -47.52 83.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.469 0.652 . . . . 0.0 109.633 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.5 m -71.24 -41.98 69.43 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.051 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.823 ' HA ' HE21 ' A' ' 15' ' ' GLN . 0.0 OUTLIER -61.62 -42.49 98.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.53 177.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.48 -43.66 95.79 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.573 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.41 ' CD1' ' HB3' ' A' ' 47' ' ' ALA . 69.3 t80 -63.93 -39.3 93.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.132 0.491 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 70.8 tttt -74.59 -17.62 60.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.193 0.521 . . . . 0.0 110.105 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.28 -24.23 27.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.429 -175.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.18 -35.92 92.24 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 119.912 -1.137 . . . . 0.0 110.975 172.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.476 ' CD2' ' HB1' ' A' ' 47' ' ' ALA . 0.3 OUTLIER -83.61 -55.53 4.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.446 0.641 . . . . 0.0 109.603 178.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 33.7 m-80 -94.41 -36.8 11.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.027 -0.988 . . . . 0.0 113.08 -170.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.5 -21.69 63.85 Favored Glycine 0 CA--C 1.511 -0.189 0 C-N-CA 120.226 -0.988 . . . . 0.0 111.759 -171.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 60.68 -63.24 0.07 Allowed 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.791 1.236 . . . . 0.0 113.297 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 m -99.45 167.77 10.41 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.087 0.47 . . . . 0.0 111.478 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.533 ' NE2' HD12 ' A' ' 41' ' ' LEU . 11.8 mt-30 -78.99 -12.97 60.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.927 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -77.51 14.7 0.93 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.428 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.571 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -108.45 24.29 13.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.289 177.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.424 ' SG ' ' HB2' ' A' ' 36' ' ' ALA . 35.8 t -102.9 94.46 5.34 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.442 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.571 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 42.8 Cg_endo -93.33 26.15 0.38 Allowed 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 123.497 2.798 . . . . 0.0 113.646 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.766 ' HE2' ' HG2' ' A' ' 15' ' ' GLN . 89.6 m-85 -108.92 -46.03 3.69 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -175.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.555 ' HG2' ' HB2' ' A' ' 35' ' ' ASP . 6.5 tp60 -176.77 175.76 1.6 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -173.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.473 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 49.5 mt-30 -101.08 -73.89 0.63 Allowed 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 174.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.4 t -71.57 -48.22 53.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 121.103 0.478 . . . . 0.0 111.24 -173.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.555 ' HB2' ' HG2' ' A' ' 32' ' ' GLN . 5.9 m-20 -67.27 -38.61 85.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.829 0.823 . . . . 0.0 109.402 -178.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.511 ' HB1' ' HB3' ' A' ' 32' ' ' GLN . . . -72.03 -26.17 62.09 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.6 178.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.469 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 19.4 ttt180 -61.97 -50.22 72.96 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.2 p -71.06 -29.79 65.77 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.716 -175.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -95.29 -63.58 1.15 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.57 -0.452 . . . . 0.0 112.128 178.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.551 ' HB2' ' HB2' ' A' ' 12' ' ' ALA . 85.1 t90 -64.68 -45.97 84.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.534 -174.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.533 HD12 ' NE2' ' A' ' 26' ' ' GLN . 1.5 tt -75.67 -25.8 57.08 Favored 'General case' 0 C--N 1.334 -0.07 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -173.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.14 -48.9 75.89 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.603 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.87 -35.02 72.13 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.489 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -57.21 -50.67 72.14 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 176.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.415 ' HD3' ' O ' ' A' ' 45' ' ' ARG . 2.7 tmt_? -58.72 -45.08 90.39 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.511 -177.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -55.58 -58.95 5.66 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.511 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.476 ' HB1' ' CD2' ' A' ' 21' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.674 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 ttp-105 . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.688 0.28 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -57.65 -57.15 13.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.787 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -70.9 -21.74 62.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.479 -177.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.5 mt -77.68 -41.5 37.85 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.463 0.171 . . . . 0.0 111.463 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -71.14 -22.12 62.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.239 0.542 . . . . 0.0 110.03 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -75.93 -40.09 54.87 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 174.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.59 ' HB2' ' HB2' ' A' ' 40' ' ' TRP . . . -64.16 -33.53 76.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.21 174.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -59.65 -48.25 82.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.478 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -74.85 -41.21 60.3 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.304 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -60.56 -40.93 93.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.412 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.23 -42.16 98.57 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.861 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -64.42 -37.95 89.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.095 0.474 . . . . 0.0 110.22 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -76.17 -23.72 54.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.029 0.442 . . . . 0.0 110.284 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.89 -20.3 42.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.713 -176.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.461 ' HA3' ' HB2' ' A' ' 47' ' ' ALA . . . -71.1 -20.39 77.92 Favored Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 119.904 -1.141 . . . . 0.0 111.213 173.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.69 -49.71 4.09 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.497 0.665 . . . . 0.0 109.644 178.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.23 -37.63 11.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.901 -1.045 . . . . 0.0 112.423 -174.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.06 -17.54 67.05 Favored Glycine 0 CA--C 1.51 -0.272 0 C-N-CA 120.208 -0.996 . . . . 0.0 112.251 -170.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 61.08 -68.51 0.05 OUTLIER 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.19 0.996 . . . . 0.0 113.36 -178.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.9 m -94.98 173.59 7.51 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.131 0.491 . . . . 0.0 111.34 -174.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.426 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 55.7 mt-30 -84.38 -9.48 58.39 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.605 0.717 . . . . 0.0 109.292 174.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -68.69 -10.02 53.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.004 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.537 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -86.08 16.97 3.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.492 -178.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.6 t -102.2 96.32 6.89 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.97 0.414 . . . . 0.0 110.995 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.537 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 58.4 Cg_endo -89.26 -2.73 6.08 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 122.787 2.324 . . . . 0.0 113.216 177.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -76.25 -62.5 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -171.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -167.65 -176.55 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 -176.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.601 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 83.7 mm-40 -102.51 -76.91 0.57 Allowed 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 178.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.4 t -61.31 -58.94 5.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.55 0.691 . . . . 0.0 111.634 -172.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -68.7 -33.2 73.55 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.446 -173.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' A' ' 40' ' ' TRP . . . -71.78 -27.74 63.16 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.493 179.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.601 ' HG3' ' O ' ' A' ' 33' ' ' GLN . 95.3 mtt180 -64.31 -46.34 83.98 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 119.873 -0.731 . . . . 0.0 110.036 175.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.3 m -64.32 -32.15 73.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.137 -177.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -94.81 -66.04 0.94 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.094 0.473 . . . . 0.0 111.963 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.59 ' HB2' ' HB2' ' A' ' 12' ' ' ALA . 77.3 t90 -65.31 -49.29 70.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.51 -175.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.587 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 1.2 tt -75.96 -31.76 59.2 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -171.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.84 -46.22 94.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.41 174.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.67 -35.21 73.69 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.711 175.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -59.35 -43.29 92.82 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 122.409 0.283 . . . . 0.0 110.661 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' ' 41' ' ' LEU . 62.4 mtp180 -69.09 -33.01 72.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.096 -179.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -68.82 -43.46 75.54 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.33 0.586 . . . . 0.0 109.677 175.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.461 ' HB2' ' HA3' ' A' ' 20' ' ' GLY . . . . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.642 175.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.953 0.406 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -51.81 -60.16 3.49 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.063 178.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -69.34 -27.51 65.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.572 -176.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.2 mt -74.79 -38.53 62.11 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.969 -0.293 . . . . 0.0 111.46 -178.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -67.2 -29.76 69.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.67 0.748 . . . . 0.0 109.474 173.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -70.99 -39.56 72.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.187 -0.915 . . . . 0.0 108.829 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.44 ' HB2' ' HB2' ' A' ' 40' ' ' TRP . . . -63.95 -30.64 71.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.286 173.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -63.69 -50.54 68.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.051 0.453 . . . . 0.0 109.977 177.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.3 m -65.5 -37.71 87.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.45 177.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -65.07 -43.26 92.81 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.783 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.3 -37.72 94.25 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 112.213 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -64.52 -40.73 96.17 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -69.12 -30.4 68.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.401 175.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.21 -22.72 54.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.496 -177.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.435 ' HA3' ' HB3' ' A' ' 47' ' ' ALA . . . -69.72 -22.83 76.93 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.395 -0.907 . . . . 0.0 111.664 174.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.403 ' CD2' ' HB2' ' A' ' 47' ' ' ALA . 0.2 OUTLIER -98.79 -47.41 5.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.363 0.601 . . . . 0.0 109.452 177.768 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -100.12 -37.69 8.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.926 -1.033 . . . . 0.0 112.849 -171.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.55 -22.12 70.7 Favored Glycine 0 CA--C 1.507 -0.453 0 C-N-CA 120.103 -1.046 . . . . 0.0 111.766 -171.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 66.24 -61.25 0.29 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.589 0.756 . . . . 0.0 112.7 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.6 m -105.17 172.61 6.7 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.005 0.431 . . . . 0.0 111.746 -174.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -81.17 -14.27 57.77 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-O 121.647 0.737 . . . . 0.0 109.221 175.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -58.17 -10.94 2.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.418 -1.264 . . . . 0.0 111.105 177.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.453 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -92.01 22.41 4.34 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.688 -177.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 47.4 t -108.81 90.46 7.6 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-O 120.946 0.403 . . . . 0.0 111.231 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 52.1 Cg_endo -91.14 16.81 1.51 Allowed 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 123.199 2.599 . . . . 0.0 113.861 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -100.73 -68.33 0.82 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.003 0.43 . . . . 0.0 112.149 -172.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.449 ' HB3' ' HB1' ' A' ' 36' ' ' ALA . 6.3 tp-100 -154.66 176.29 12.61 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -175.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.435 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 6.7 tp-100 -101.14 -76.01 0.57 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.905 176.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.9 t -63.97 -54.93 25.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 121.4 0.619 . . . . 0.0 111.373 -173.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.84 -42.64 99.82 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.845 0.831 . . . . 0.0 109.521 -177.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.449 ' HB1' ' HB3' ' A' ' 32' ' ' GLN . . . -70.67 -28.84 65.09 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.783 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.536 ' HA ' ' HB2' ' A' ' 41' ' ' LEU . 32.7 ttt85 -57.97 -49.08 78.03 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 174.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.6 t -63.86 -41.46 97.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.526 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -89.0 -60.75 1.87 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.44 ' HB2' ' HB2' ' A' ' 12' ' ' ALA . 73.9 t90 -70.6 -50.26 39.04 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.433 -174.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.536 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 2.1 tt -76.32 -34.07 59.02 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -170.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.84 -43.62 97.81 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.825 -0.703 . . . . 0.0 111.427 174.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.5 -36.03 82.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.87 177.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -57.14 -47.67 80.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.83 0.348 . . . . 0.0 110.547 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -66.88 -36.56 82.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.213 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -71.15 -40.65 71.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.851 0.358 . . . . 0.0 110.471 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.435 ' HB3' ' HA3' ' A' ' 20' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.818 177.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 6' ' ' ARG . 23.1 ttt180 . . . . . 0 C--O 1.225 -0.227 0 CA-C-O 120.385 0.136 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -51.06 -59.98 3.59 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.7 0.762 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.462 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 49.7 ptt85 -71.5 -14.67 62.19 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.933 -174.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.526 HD21 ' OD1' ' A' ' 35' ' ' ASP . 57.9 mt -89.83 -49.12 6.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.534 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -66.72 -29.59 69.61 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.404 0.621 . . . . 0.0 109.726 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -84.54 -27.49 27.31 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.204 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 8' ' ' ARG . . . -64.73 -33.06 75.07 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.063 0.458 . . . . 0.0 109.766 168.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -63.01 -41.52 99.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.063 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -81.49 -39.14 25.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.826 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.443 ' NE2' ' HE1' ' A' ' 40' ' ' TRP . 0.7 OUTLIER -71.44 -25.66 62.4 Favored 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.327 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.95 -37.38 94.2 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 173.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.53 ' CD1' ' HB1' ' A' ' 47' ' ' ALA . 64.8 t80 -63.52 -45.93 88.36 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 174.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -60.4 -35.52 75.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.277 174.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.11 -36.75 72.28 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.207 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.08 -29.85 75.77 Favored Glycine 0 C--N 1.315 -0.587 0 C-N-CA 120.126 -1.035 . . . . 0.0 111.83 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.659 HD11 ' HB2' ' A' ' 47' ' ' ALA . 2.0 mp -80.19 -52.65 7.49 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.538 0.685 . . . . 0.0 110.616 177.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -100.69 -41.83 6.76 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.768 -1.105 . . . . 0.0 112.274 -168.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.57 -20.92 59.14 Favored Glycine 0 CA--C 1.501 -0.785 0 C-N-CA 120.041 -1.076 . . . . 0.0 110.842 -169.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 64.58 -58.61 0.24 Allowed 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 114.366 -0.917 . . . . 0.0 112.734 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.0 m -94.56 175.45 6.67 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.071 0.462 . . . . 0.0 112.13 -170.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.403 ' HA ' ' HH2' ' A' ' 40' ' ' TRP . 54.2 mt-30 -85.71 -16.34 39.3 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.679 177.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -57.09 -18.77 15.94 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.769 177.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.441 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -82.21 20.02 1.1 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.09 -176.206 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.8 t -107.59 92.84 9.11 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 111.284 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 43.1 Cg_endo -92.33 41.77 0.31 Allowed 'Trans proline' 0 CA--C 1.533 0.461 0 C-N-CA 123.194 2.596 . . . . 0.0 113.091 176.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -113.14 -86.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -175.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.513 ' HG3' ' H ' ' A' ' 33' ' ' GLN . 51.0 tp60 -152.41 -178.16 6.66 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -170.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.52 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 53.0 tt0 -99.57 -76.24 0.55 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 118.367 0.531 . . . . 0.0 112.39 175.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 67.5 t -57.0 -62.07 1.03 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.834 0 CA-C-O 121.554 0.692 . . . . 0.0 112.012 -170.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.526 ' OD1' HD21 ' A' ' 9' ' ' LEU . 1.1 p30 -68.86 -34.4 75.39 Favored 'General case' 0 CA--C 1.497 -1.077 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.801 -173.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 32' ' ' GLN . . . -70.21 -33.15 71.33 Favored 'General case' 0 N--CA 1.427 -1.614 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.327 -175.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.59 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 89.2 mtt-85 -58.36 -47.85 82.47 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 173.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.1 t -64.64 -31.49 72.74 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.258 -174.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -100.76 -55.4 2.59 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -177.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.443 ' HE1' ' NE2' ' A' ' 15' ' ' GLN . 70.3 t90 -66.21 -42.18 89.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.232 -173.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.59 ' HB2' ' O ' ' A' ' 37' ' ' ARG . 23.5 mt -71.82 -22.3 61.57 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.963 -177.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.21 -47.56 63.62 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.286 -0.959 . . . . 0.0 111.275 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.65 -33.42 63.56 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.82 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -63.55 -50.77 68.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.432 0.158 . . . . 0.0 110.592 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 45' ' ' ARG . 46.3 mtm180 -64.07 -36.87 85.43 Favored 'General case' 0 CA--C 1.521 -0.172 0 C-N-CA 121.216 -0.194 . . . . 0.0 111.044 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.36 -58.62 7.72 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.659 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.795 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.453 ' HA ' HD13 ' A' ' 9' ' ' LEU . 24.9 ttm-85 . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 120.921 0.391 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -55.18 -46.89 75.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.681 178.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -81.38 -6.33 58.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.99 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 6' ' ' ARG . 71.0 mt -87.36 -39.7 15.07 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 175.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -64.41 -30.59 71.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.823 0.82 . . . . 0.0 109.036 171.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -39.76 58.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.591 -1.186 . . . . 0.0 108.992 177.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.529 ' HB2' ' HB2' ' A' ' 40' ' ' TRP . . . -63.68 -25.41 68.2 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.666 176.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -64.13 -49.19 73.14 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.0 m -67.2 -38.05 84.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.25 0.548 . . . . 0.0 110.367 177.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.474 ' HG2' ' HE2' ' A' ' 31' ' ' TYR . 7.1 tp60 -65.09 -39.24 92.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.607 178.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.83 -37.83 88.78 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.971 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -58.07 -48.18 80.92 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 174.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -62.48 -34.74 77.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.517 176.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.04 -23.59 63.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.132 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.4 -33.75 64.12 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.171 -1.014 . . . . 0.0 111.423 174.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.79 -60.92 2.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.556 0.693 . . . . 0.0 110.184 176.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -100.27 -30.99 11.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.73 -1.123 . . . . 0.0 112.819 -170.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.71 -20.45 78.61 Favored Glycine 0 C--O 1.235 0.191 0 C-N-CA 120.322 -0.942 . . . . 0.0 112.252 -170.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 69.03 -55.48 0.55 Allowed 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.435 0.694 . . . . 0.0 112.756 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.4 m -128.76 173.69 10.12 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -172.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.428 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 6.4 mt-30 -79.91 -15.7 56.79 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.933 178.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -59.01 -19.23 41.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.737 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.561 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -85.4 27.38 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.143 -176.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.5 t -105.26 94.41 8.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.004 0.431 . . . . 0.0 110.863 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.561 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 40.6 Cg_endo -95.8 17.55 0.74 Allowed 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.241 2.628 . . . . 0.0 114.493 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.474 ' HE2' ' HG2' ' A' ' 15' ' ' GLN . 71.2 m-85 -99.4 -85.81 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.053 0.454 . . . . 0.0 112.223 -174.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.511 ' HG2' ' HB2' ' A' ' 35' ' ' ASP . 49.8 tp60 -124.89 177.76 5.85 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -176.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.439 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 89.5 mt-30 -101.13 -76.23 0.57 Allowed 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.874 177.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 67.6 t -70.68 -50.38 44.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.31 0.576 . . . . 0.0 110.734 -175.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.511 ' HB2' ' HG2' ' A' ' 32' ' ' GLN . 1.5 m-20 -61.02 -45.06 96.32 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.487 -178.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.492 ' HB1' ' HB3' ' A' ' 32' ' ' GLN . . . -65.74 -31.56 72.62 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 114.671 -1.15 . . . . 0.0 111.119 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -60.16 -50.89 71.88 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.857 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.0 p -67.2 -27.48 67.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.229 -174.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -99.98 -63.93 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.529 ' HB2' ' HB2' ' A' ' 12' ' ' ALA . 83.3 t90 -61.22 -49.17 78.23 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.042 -177.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 tt -79.56 -22.69 43.48 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 -175.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.59 -43.83 97.43 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.816 -0.706 . . . . 0.0 111.372 173.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.71 -36.29 61.97 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.683 175.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 85.9 t90 -58.63 -51.29 70.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.168 0.508 . . . . 0.0 110.23 176.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 45' ' ' ARG . 1.3 mmm180 -61.91 -34.55 76.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.151 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.74 -56.44 10.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.091 0.472 . . . . 0.0 110.447 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.407 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.585 -177.613 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.494 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 51.5 ttm-85 . . . . . 0 CA--C 1.52 -0.205 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -49.05 -53.27 20.98 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.804 0.811 . . . . 0.0 110.462 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -59.67 -33.36 71.46 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.526 -177.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.44 ' CD1' ' HB3' ' A' ' 35' ' ' ASP . 53.5 mt -85.91 -32.24 21.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.745 -177.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 6' ' ' ARG . 22.1 mm-40 -59.73 -31.61 69.78 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.433 0.635 . . . . 0.0 109.773 174.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 11' ' ' ARG . 13.2 mtp180 -88.44 -32.8 18.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.163 178.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.14 -30.32 68.06 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.477 175.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -66.58 -51.43 56.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.386 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.7 m -65.44 -35.09 79.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.368 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -62.9 -45.95 90.1 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.948 176.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.92 -34.29 89.54 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.128 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.49 ' HE1' ' OD2' ' A' ' 46' ' ' ASP . 8.1 t80 -62.45 -49.34 75.8 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -64.7 -32.07 73.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.22 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.74 -14.65 62.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.808 176.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.01 -33.81 56.66 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.572 174.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -91.44 -43.2 9.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.47 0.653 . . . . 0.0 110.214 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -100.36 -38.12 8.58 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.388 -0.824 . . . . 0.0 112.87 -173.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.25 -17.83 79.71 Favored Glycine 0 CA--C 1.511 -0.209 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.235 -171.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 69.11 -63.77 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 123.688 0.795 . . . . 0.0 112.642 177.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.7 m -111.82 169.35 8.89 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.002 0.43 . . . . 0.0 111.718 -171.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.463 ' OE1' HD23 ' A' ' 41' ' ' LEU . 25.4 mt-30 -86.5 -6.55 58.87 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.736 0.779 . . . . 0.0 109.076 177.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.76 12.54 1.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.541 -1.209 . . . . 0.0 110.093 -179.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.638 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -117.33 27.88 8.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.723 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 44.1 t -102.89 90.71 2.47 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.812 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.638 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 49.3 Cg_endo -92.94 3.08 3.53 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.967 2.445 . . . . 0.0 114.527 -175.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -77.5 -68.65 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -173.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.534 HE21 ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -146.41 -171.92 3.84 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -174.341 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.488 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 45.3 mt-30 -100.98 -76.92 0.55 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.186 0.517 . . . . 0.0 111.7 175.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.9 t -74.24 -47.94 38.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.826 -173.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.459 ' O ' ' HD1' ' A' ' 39' ' ' TYR . 10.9 m-20 -64.72 -44.33 90.53 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.572 -178.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.91 -32.36 73.82 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.228 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' A' ' 37' ' ' ARG . 37.2 ttt180 -59.62 -51.34 70.22 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.755 0.312 . . . . 0.0 110.163 176.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 t -68.32 -30.63 69.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.5 -172.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.459 ' HD1' ' O ' ' A' ' 35' ' ' ASP . 65.9 m-85 -92.44 -68.77 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.18 0.514 . . . . 0.0 111.75 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 59.5 t90 -63.92 -48.73 75.4 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.04 -174.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.463 HD23 ' OE1' ' A' ' 26' ' ' GLN . 5.1 tt -78.59 -33.74 47.31 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -172.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.86 -43.55 99.14 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 173.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.93 -37.81 93.61 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.808 175.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -57.64 -53.52 57.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.701 0.286 . . . . 0.0 110.522 177.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -64.92 -36.71 85.24 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.062 -178.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.49 ' OD2' ' HE1' ' A' ' 17' ' ' TYR . 35.3 t70 -62.35 -50.34 71.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.973 0.416 . . . . 0.0 110.008 179.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.043 178.334 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 . . . . . 0 C--O 1.224 -0.243 0 CA-C-O 120.728 0.299 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.84 -63.72 1.2 Allowed 'General case' 0 C--O 1.24 0.581 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.638 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -66.93 -28.71 68.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.737 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.54 HD12 ' HB3' ' A' ' 35' ' ' ASP . 68.2 mt -71.53 -37.71 71.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.415 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -60.07 -39.77 87.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.309 0.575 . . . . 0.0 109.556 175.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -75.33 -39.56 59.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.346 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.417 ' HB2' ' HB2' ' A' ' 40' ' ' TRP . . . -59.67 -28.92 67.69 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.827 176.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -71.57 -45.72 61.45 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.072 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.9 m -70.26 -39.52 74.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.409 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -43.16 74.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.776 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.21 -37.47 93.0 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.013 177.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -55.88 -54.37 45.49 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 174.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -67.48 -30.28 69.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.378 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.54 -16.36 64.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.93 0.395 . . . . 0.0 111.012 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.92 -34.14 71.01 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.196 -1.002 . . . . 0.0 111.539 171.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -92.46 -41.85 10.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.501 0.667 . . . . 0.0 110.118 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -95.29 -41.82 8.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.479 -173.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.38 -26.79 60.76 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.288 -0.958 . . . . 0.0 111.365 -175.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.2 ttp85 67.43 -55.07 0.47 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.85 0.86 . . . . 0.0 112.472 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.9 m -103.71 -177.86 3.49 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.741 0.305 . . . . 0.0 111.076 -177.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -97.21 -16.42 20.4 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 122.018 0.913 . . . . 0.0 108.619 -177.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.75 0.41 5.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.093 -1.412 . . . . 0.0 111.166 179.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.567 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -91.33 21.91 4.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.542 176.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.8 t -104.67 92.33 4.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.719 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.567 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 62.0 Cg_endo -92.77 8.4 2.73 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 123.163 2.576 . . . . 0.0 113.383 178.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -82.78 -70.72 0.53 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -174.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.522 ' HG2' ' HB2' ' A' ' 35' ' ' ASP . 48.1 tp60 -153.09 179.96 8.24 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -172.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.408 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 54.5 tp60 -100.59 -75.84 0.57 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.848 174.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.9 t -72.26 -47.49 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.213 0.53 . . . . 0.0 110.84 -172.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.54 ' HB3' HD12 ' A' ' 9' ' ' LEU . 2.0 m-20 -60.94 -48.22 82.81 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.844 0.83 . . . . 0.0 109.562 178.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.453 ' HB1' ' HB3' ' A' ' 32' ' ' GLN . . . -66.93 -32.86 74.39 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.046 -178.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -55.76 -47.97 76.08 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.1 t -61.8 -44.76 96.23 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.391 -175.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -94.66 -56.16 2.88 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -175.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.417 ' HB2' ' HB2' ' A' ' 12' ' ' ALA . 66.4 t90 -65.49 -46.88 77.98 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.695 -176.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.54 -26.04 50.69 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -177.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.43 -51.16 58.27 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.432 174.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.99 -31.32 77.7 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 121.128 -0.558 . . . . 0.0 111.824 176.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 29.5 t90 -59.4 -48.5 81.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.036 0.446 . . . . 0.0 109.876 176.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 45' ' ' ARG . 11.5 mmm-85 -70.22 -36.65 74.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.027 177.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -57.81 -48.16 80.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.33 0.586 . . . . 0.0 110.01 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.249 176.783 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 6' ' ' ARG . 6.1 tpt180 . . . . . 0 C--O 1.222 -0.359 0 CA-C-O 120.681 0.277 . . . . 0.0 110.781 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -55.15 -60.4 3.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.407 0.622 . . . . 0.0 110.66 177.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -77.74 -20.81 52.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.439 -174.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.511 HD12 ' HB3' ' A' ' 35' ' ' ASP . 23.9 mt -82.16 -46.28 14.01 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -66.14 -31.04 71.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.835 0.826 . . . . 0.0 109.28 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -77.63 -34.89 53.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.82 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.39 -28.94 69.62 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.238 173.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.13 -45.17 74.33 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.9 t -66.56 -44.93 80.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.189 175.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -59.65 -42.91 93.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.789 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.446 ' O ' ' HA ' ' A' ' 44' ' ' TRP . . . -62.76 -42.54 99.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.269 -0.491 . . . . 0.0 112.09 178.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -58.08 -50.41 73.55 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -62.79 -35.01 78.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.543 176.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.15 -20.91 66.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.072 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.03 -41.81 92.78 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.319 -0.943 . . . . 0.0 111.571 173.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -84.74 -48.31 9.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.93 0.395 . . . . 0.0 110.457 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.84 -39.13 8.35 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -173.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.26 -25.46 75.47 Favored Glycine 0 CA--C 1.512 -0.139 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.876 -171.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 ttp85 68.88 -65.68 0.28 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.58 0.752 . . . . 0.0 112.411 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.0 m -104.46 171.19 7.47 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.065 0.46 . . . . 0.0 111.724 -174.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.466 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 10.4 mt-30 -91.08 -11.68 37.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.498 0.666 . . . . 0.0 110.072 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -67.86 -8.88 40.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.211 176.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.663 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -88.86 23.61 2.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.398 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.9 t -100.15 94.75 3.47 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-O 120.952 0.406 . . . . 0.0 110.548 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.663 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 38.0 Cg_endo -94.47 34.39 0.18 Allowed 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 123.472 2.781 . . . . 0.0 113.57 -178.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -111.12 -81.26 0.58 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -175.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.455 ' CG ' ' H ' ' A' ' 33' ' ' GLN . 27.7 tt0 -150.77 -172.73 4.27 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -172.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.455 ' H ' ' CG ' ' A' ' 32' ' ' GLN . 14.4 mt-30 -100.53 -77.41 0.54 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 118.302 0.501 . . . . 0.0 112.134 -179.116 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.0 t -67.41 -54.66 21.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 121.339 0.59 . . . . 0.0 111.066 -173.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.511 ' HB3' HD12 ' A' ' 9' ' ' LEU . 3.1 m-20 -60.88 -48.56 81.26 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.07 -176.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.23 -30.45 71.5 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.25 -1.341 . . . . 0.0 111.488 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -59.7 -53.88 52.84 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.2 m -70.34 -25.26 63.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.432 -174.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -96.33 -58.3 2.1 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.466 ' CH2' ' HA ' ' A' ' 26' ' ' GLN . 67.6 t90 -71.25 -51.67 23.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.833 -175.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 tt -71.43 -34.42 70.27 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -175.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.94 -51.34 59.78 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.683 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.67 -33.22 80.12 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.999 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.446 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 90.8 t90 -58.26 -55.81 30.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.035 0.445 . . . . 0.0 110.647 177.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.7 ttt-85 -72.23 -31.12 65.55 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.082 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -55.52 -57.2 12.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.538 178.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.382 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.161 179.758 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 . . . . . 0 CA--C 1.527 0.078 0 CA-C-O 120.458 0.17 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -54.24 -54.73 35.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.177 0.513 . . . . 0.0 110.619 178.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.45 ' NH2' ' HB2' ' A' ' 32' ' ' GLN . 8.0 ptt-85 -70.29 -23.22 62.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.554 -177.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.1 mt -78.23 -46.46 20.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.932 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -70.0 -23.8 63.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.326 0.584 . . . . 0.0 109.651 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -80.28 -30.41 38.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.493 174.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.95 -26.1 68.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.953 172.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -65.39 -38.74 90.9 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 177.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.3 t -75.52 -37.39 60.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.845 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -59.53 -44.58 93.16 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.863 176.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.55 -34.61 89.57 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.294 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.452 ' CD2' ' HB2' ' A' ' 47' ' ' ALA . 36.3 t80 -60.28 -43.75 95.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.124 0.488 . . . . 0.0 109.94 176.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -73.64 -29.14 62.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.404 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.46 -18.22 59.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.689 -177.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.0 -23.67 77.65 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 120.347 -0.93 . . . . 0.0 111.408 174.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.59 -49.91 4.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.648 0.737 . . . . 0.0 109.765 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -99.66 -33.31 10.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.588 -173.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.75 -9.35 84.96 Favored Glycine 0 CA--C 1.506 -0.49 0 C-N-CA 120.433 -0.889 . . . . 0.0 111.049 -175.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 24' ' ' ARG . 37.4 ttp180 66.05 -69.85 0.11 Allowed 'General case' 0 CA--C 1.536 0.428 0 O-C-N 124.579 0.811 . . . . 0.0 112.681 178.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.452 ' HB3' ' OE1' ' A' ' 27' ' ' GLU . 14.9 m -111.43 -173.35 2.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.258 -171.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.427 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 13.6 mt-30 -97.4 -17.51 19.65 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 122.443 1.116 . . . . 0.0 108.077 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' OE1' ' HB3' ' A' ' 25' ' ' SER . 19.6 mp0 -64.74 -12.97 52.93 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 113.191 -1.822 . . . . 0.0 111.002 178.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.626 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -86.08 12.48 9.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.516 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.4 t -82.32 103.27 2.17 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.846 0.355 . . . . 0.0 110.563 178.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.626 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 74.8 Cg_endo -78.13 -24.6 8.0 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.789 2.326 . . . . 0.0 113.825 -175.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -96.86 135.07 39.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 119.076 -0.487 . . . . 0.0 111.322 -172.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.62 ' HB3' ' HB1' ' A' ' 36' ' ' ALA . 28.3 tt0 46.89 177.49 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.234 0 O-C-N 125.041 1.463 . . . . 0.0 114.945 159.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.448 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 7.1 tp-100 -104.87 -78.52 0.57 Allowed 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 121.143 -0.973 . . . . 0.0 112.684 175.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.2 t -74.75 -50.99 23.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.972 0.415 . . . . 0.0 111.548 -167.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.401 ' O ' ' HD2' ' A' ' 39' ' ' TYR . 3.6 m-20 -67.08 -35.7 80.39 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.609 0.719 . . . . 0.0 109.08 -175.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.62 ' HB1' ' HB3' ' A' ' 32' ' ' GLN . . . -59.52 -52.91 63.56 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.718 -1.128 . . . . 0.0 111.125 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 33' ' ' GLN . 13.9 mtp85 -61.64 -31.52 71.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.132 -177.141 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.6 m -67.64 -32.49 73.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.204 0.526 . . . . 0.0 110.397 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.401 ' HD2' ' O ' ' A' ' 35' ' ' ASP . 70.4 m-85 -96.81 -62.18 1.3 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.809 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.427 ' CH2' ' HA ' ' A' ' 26' ' ' GLN . 79.4 t90 -61.47 -46.25 90.82 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.291 -175.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.45 -19.69 45.51 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -175.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.76 -48.62 75.16 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.34 -33.58 64.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.792 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 54.8 t90 -57.55 -52.51 65.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.189 0.518 . . . . 0.0 110.334 177.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -64.25 -38.05 89.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.517 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -62.86 -57.52 10.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.814 0.34 . . . . 0.0 110.77 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.452 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.796 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -59.11 -46.59 87.92 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 121.653 0.74 . . . . 0.0 109.436 173.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -51.01 -42.78 60.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.155 -1.384 . . . . 0.0 111.258 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.7 mt -81.32 -41.16 22.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.804 -178.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.21 -25.55 64.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.059 0.457 . . . . 0.0 110.446 -178.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -83.35 -28.22 29.14 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 176.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.49 -27.02 68.99 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.171 171.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -69.93 -41.39 74.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.044 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.0 m -71.14 -40.11 71.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.212 175.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.43 -48.31 73.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.637 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.457 ' HA2' ' HB3' ' A' ' 19' ' ' ALA . . . -57.55 -32.6 65.06 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.115 178.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.424 ' CD1' ' HB1' ' A' ' 47' ' ' ALA . 34.7 t80 -59.97 -53.51 56.95 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 176.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -70.34 -20.79 62.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.066 0.46 . . . . 0.0 110.365 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.457 ' HB3' ' HA2' ' A' ' 16' ' ' GLY . . . -80.68 -18.98 46.25 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.178 0.513 . . . . 0.0 110.725 -177.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.0 -24.27 74.26 Favored Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.17 -1.014 . . . . 0.0 110.907 172.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.826 HD23 ' HB2' ' A' ' 47' ' ' ALA . 0.8 OUTLIER -93.87 -53.77 3.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.599 0.714 . . . . 0.0 109.404 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -101.01 -31.9 10.88 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.617 -173.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.49 -11.09 71.79 Favored Glycine 0 CA--C 1.505 -0.587 0 C-N-CA 120.043 -1.075 . . . . 0.0 110.853 -176.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 61.58 -72.73 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 114.6 -0.8 . . . . 0.0 112.23 -178.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.7 m -105.56 175.37 5.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.282 0.563 . . . . 0.0 112.014 -173.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -81.2 -13.26 58.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.21 177.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.54 -16.61 56.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.735 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.531 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -85.51 25.23 1.07 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.741 -177.324 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.9 t -108.4 85.99 3.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 0.0 110.546 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.531 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 34.7 Cg_endo -94.35 31.51 0.22 Allowed 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.289 2.66 . . . . 0.0 113.683 -177.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -107.01 -71.67 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.377 -0.529 . . . . 0.0 112.108 -174.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.512 ' HB3' ' HB1' ' A' ' 36' ' ' ALA . 32.2 tt0 -149.35 177.56 9.57 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -172.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.489 ' O ' ' HB2' ' A' ' 37' ' ' ARG . 15.9 mm100 -101.26 -76.85 0.56 Allowed 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.143 -0.623 . . . . 0.0 112.464 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.2 t -66.13 -55.15 20.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 CA-C-O 121.438 0.637 . . . . 0.0 111.421 -173.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.79 -35.51 77.11 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.836 -175.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.512 ' HB1' ' HB3' ' A' ' 32' ' ' GLN . . . -68.91 -38.29 79.48 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.637 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.489 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 9.8 ttt180 -57.86 -41.43 82.41 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.2 m -67.94 -44.87 75.79 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.646 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -81.16 -55.3 4.84 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -176.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -69.54 -47.31 64.13 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.458 -172.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.498 ' O ' ' HG3' ' A' ' 45' ' ' ARG . 0.5 OUTLIER -74.32 -25.16 59.39 Favored 'General case' 0 N--CA 1.461 0.09 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.54 -174.587 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.53 -51.41 56.34 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.692 177.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.43 -30.0 69.47 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.882 177.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -59.43 -49.15 78.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.863 0.363 . . . . 0.0 110.64 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.498 ' HG3' ' O ' ' A' ' 41' ' ' LEU . 16.7 mtm180 -66.17 -45.42 80.96 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.498 179.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -56.59 -56.71 17.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.987 -177.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.826 ' HB2' HD23 ' A' ' 21' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.309 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 . . . . . 0 N--CA 1.455 -0.196 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -55.93 -42.5 76.22 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.413 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -58.66 -26.97 64.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.685 178.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.546 HD11 ' HB3' ' A' ' 35' ' ' ASP . 78.2 mt -94.52 -26.42 16.44 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.213 -177.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -66.05 -35.43 80.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.793 0.806 . . . . 0.0 108.875 173.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -82.64 -33.46 27.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.689 178.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.37 -34.06 76.89 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 120.995 0.426 . . . . 0.0 110.242 173.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -64.22 -47.21 80.58 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.488 0.661 . . . . 0.0 109.705 178.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.3 m -71.24 -42.02 69.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.34 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -63.12 -41.92 99.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.553 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.22 -40.6 97.54 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.284 -0.484 . . . . 0.0 112.026 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -61.34 -50.85 71.25 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 177.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -63.31 -36.35 83.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.319 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.03 -23.32 65.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.95 0.405 . . . . 0.0 111.014 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.33 -42.3 99.23 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.602 -0.808 . . . . 0.0 111.349 174.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.1 -55.96 3.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.488 0.661 . . . . 0.0 110.485 178.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.24 -33.61 14.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.493 -170.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.46 -17.05 79.67 Favored Glycine 0 CA--C 1.512 -0.111 0 C-N-CA 120.224 -0.989 . . . . 0.0 112.391 -172.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 66.34 -73.95 0.07 Allowed 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 123.506 0.722 . . . . 0.0 112.087 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.0 m -99.85 169.36 9.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.295 0.569 . . . . 0.0 111.928 -172.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.474 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 12.5 mt-30 -79.91 -6.95 58.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.827 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -63.18 -19.15 64.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.184 175.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.31 26.88 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.705 -176.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 40.7 t -112.51 81.69 4.29 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-O 121.007 0.432 . . . . 0.0 110.799 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -92.6 36.8 0.23 Allowed 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 123.336 2.69 . . . . 0.0 113.716 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -112.76 -59.16 2.05 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -173.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.511 ' HB3' ' HB1' ' A' ' 36' ' ' ALA . 6.8 tp60 -160.49 177.4 10.58 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -174.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.454 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 15.9 mm100 -98.16 -77.15 0.51 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 118.443 0.565 . . . . 0.0 112.108 178.225 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.6 t -73.2 -48.85 41.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.022 0.439 . . . . 0.0 110.632 -172.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.546 ' HB3' HD11 ' A' ' 9' ' ' LEU . 2.8 m-20 -58.42 -54.35 47.98 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 122.24 1.019 . . . . 0.0 108.862 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.511 ' HB1' ' HB3' ' A' ' 32' ' ' GLN . . . -56.74 -55.48 33.62 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.363 -176.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.619 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 99.3 mtt180 -61.19 -25.53 67.1 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -174.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.7 m -71.17 -35.68 71.72 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.349 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -94.16 -53.14 4.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.079 0.466 . . . . 0.0 111.921 176.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.474 ' CH2' ' HA ' ' A' ' 26' ' ' GLN . 66.0 t90 -60.33 -47.05 87.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.639 -174.015 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.619 ' HB2' ' O ' ' A' ' 37' ' ' ARG . 2.2 mt -71.92 -16.19 62.11 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.75 0.31 . . . . 0.0 110.915 -177.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.19 -52.26 33.16 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 175.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.99 -36.03 92.59 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.392 176.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -58.12 -49.6 76.41 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.08 0.466 . . . . 0.0 110.26 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.4 mtm180 -65.95 -38.02 87.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.592 177.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -62.3 -48.18 81.02 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.648 -177.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.069 178.595 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 120.551 0.215 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -60.46 -57.43 12.78 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 121.554 0.692 . . . . 0.0 110.699 175.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.89 -17.75 61.0 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.709 -173.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.547 HD11 ' HB3' ' A' ' 35' ' ' ASP . 86.6 mt -86.13 -34.64 20.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.036 176.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -63.38 -38.22 90.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.864 0.84 . . . . 0.0 108.752 174.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 11' ' ' ARG . 47.3 mtm180 -76.3 -34.78 59.06 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.682 -1.145 . . . . 0.0 109.378 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.42 -30.85 71.88 Favored 'General case' 0 CA--C 1.518 -0.275 0 O-C-N 123.743 0.652 . . . . 0.0 110.695 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -66.24 -50.88 62.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.216 0.532 . . . . 0.0 109.797 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.2 t -69.76 -34.0 73.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.016 177.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.491 ' HG2' ' HE2' ' A' ' 31' ' ' TYR . 6.3 tp-100 -67.12 -39.66 86.69 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.702 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.78 -42.17 97.91 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.716 177.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -61.6 -48.56 80.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.321 0.582 . . . . 0.0 109.511 177.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -64.16 -36.48 84.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.879 178.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.413 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -67.37 -18.85 65.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.94 -30.57 76.25 Favored Glycine 0 N--CA 1.442 -0.951 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.605 172.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -96.49 -51.48 4.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.408 0.623 . . . . 0.0 110.091 178.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -96.45 -34.03 11.66 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.164 -0.926 . . . . 0.0 113.033 -171.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.413 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -83.66 -18.66 63.35 Favored Glycine 0 CA--C 1.506 -0.469 0 C-N-CA 120.009 -1.091 . . . . 0.0 111.532 -171.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 61.14 -79.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.427 -0.887 . . . . 0.0 112.45 -176.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.0 m -89.91 166.59 13.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.262 0.553 . . . . 0.0 111.404 -172.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.508 ' HB3' HD23 ' A' ' 41' ' ' LEU . 9.1 mt-30 -82.67 -12.67 57.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.445 177.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -73.08 -6.71 47.41 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.913 -1.04 . . . . 0.0 110.198 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.654 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -89.73 24.92 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.76 178.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.8 t -101.09 92.98 2.75 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.312 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.654 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 40.3 Cg_endo -94.82 -9.1 1.5 Allowed 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.419 2.746 . . . . 0.0 115.329 -175.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.491 ' HE2' ' HG2' ' A' ' 15' ' ' GLN . 89.9 m-85 -64.34 -51.98 60.71 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -172.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.564 ' HG2' ' HB2' ' A' ' 35' ' ' ASP . 6.7 tp60 -166.1 176.47 7.66 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -173.009 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.473 ' O ' ' HD2' ' A' ' 37' ' ' ARG . 8.6 pt20 -98.05 -75.75 0.54 Allowed 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 119.273 -0.971 . . . . 0.0 112.08 171.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.46 ' H ' ' HG3' ' A' ' 33' ' ' GLN . 60.7 t -69.14 -50.38 53.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 O-C-N 121.705 -0.622 . . . . 0.0 110.776 -170.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.564 ' HB2' ' HG2' ' A' ' 32' ' ' GLN . 39.8 m-20 -60.93 -49.08 78.89 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.879 0.847 . . . . 0.0 109.101 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.53 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -61.21 -55.25 34.27 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.862 -175.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.616 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 2.2 mpt_? -64.96 -22.19 66.96 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 119.984 -0.687 . . . . 0.0 111.387 -173.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 m -68.2 -38.51 82.05 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 176.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -91.85 -52.14 4.88 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.207 0.527 . . . . 0.0 112.361 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.421 ' CH2' ' HA ' ' A' ' 26' ' ' GLN . 66.7 t90 -61.6 -49.78 75.25 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.403 -174.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.616 ' HB2' ' O ' ' A' ' 37' ' ' ARG . 11.8 mt -72.22 -24.42 61.39 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.995 -177.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.37 -45.16 91.81 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.62 176.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.47 -27.37 65.7 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.912 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -63.85 -52.85 58.18 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.033 0.444 . . . . 0.0 110.234 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -66.33 -35.65 80.9 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.466 178.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -56.2 -50.76 70.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.182 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.431 178.886 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.9 ttp85 . . . . . 0 N--CA 1.456 -0.167 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -59.2 -52.76 64.31 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.356 0.598 . . . . 0.0 110.397 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.8 ptm85 -63.52 -27.21 69.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.717 -175.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 35' ' ' ASP . 37.5 mt -92.1 -33.58 14.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.731 -177.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -69.11 -26.41 64.9 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 172.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -73.16 -42.54 62.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.583 -1.19 . . . . 0.0 108.47 174.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 40' ' ' TRP . . . -61.57 -31.05 71.07 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.633 174.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -64.97 -50.45 66.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.038 0.447 . . . . 0.0 109.916 177.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.9 t -67.45 -39.02 85.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.358 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -46.09 85.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.46 178.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.05 -38.78 94.8 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.449 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -62.66 -41.19 98.92 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -69.48 -28.29 65.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.1 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.22 -23.67 54.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.763 -177.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.37 -24.61 76.01 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.463 -0.875 . . . . 0.0 111.547 174.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.77 -55.12 2.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.602 0.715 . . . . 0.0 109.509 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.06 -33.45 14.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.235 -173.086 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.82 -19.92 78.48 Favored Glycine 0 CA--C 1.509 -0.304 0 C-N-CA 120.286 -0.959 . . . . 0.0 112.027 -171.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 67.99 -59.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 123.633 0.773 . . . . 0.0 112.273 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.2 m -116.48 173.75 6.44 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.379 -172.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -88.57 -10.09 49.98 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.613 0.72 . . . . 0.0 109.41 178.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -66.53 -9.53 35.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.948 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.637 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -99.14 30.5 3.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.468 -177.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 41.0 t -101.95 93.97 4.15 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.686 0.279 . . . . 0.0 110.893 178.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.637 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 42.3 Cg_endo -96.49 22.96 0.35 Allowed 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 123.365 2.71 . . . . 0.0 113.333 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -97.45 -73.5 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.432 ' HB3' ' HB1' ' A' ' 36' ' ' ALA . 1.7 tt0 -148.55 -175.66 5.01 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -172.052 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.568 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 95.8 mt-30 -101.11 -78.25 0.53 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.028 0.442 . . . . 0.0 111.867 178.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.9 t -75.56 -48.56 29.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.401 0.619 . . . . 0.0 110.451 -175.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.474 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 7.9 m-20 -62.98 -37.16 86.0 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.767 -178.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.432 ' HB1' ' HB3' ' A' ' 32' ' ' GLN . . . -71.03 -30.76 67.05 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.215 -178.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.574 ' HA ' ' HB2' ' A' ' 41' ' ' LEU . 99.2 mtt180 -60.62 -48.89 79.79 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.489 174.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.5 t -61.84 -40.08 94.05 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.534 -174.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.424 ' CD1' ' HB3' ' A' ' 9' ' ' LEU . 84.9 m-85 -93.81 -67.33 0.86 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.65 -178.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.534 ' HB2' ' HB2' ' A' ' 12' ' ' ALA . 68.1 t90 -61.96 -47.09 86.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.463 -173.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.574 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 0.9 OUTLIER -77.33 -28.28 53.06 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -174.122 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.2 -46.39 91.06 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.559 174.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.01 -38.41 92.71 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.646 175.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -58.67 -53.71 55.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.321 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -62.02 -44.43 96.73 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.319 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -55.53 -52.97 61.91 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.304 0.378 . . . . 0.0 110.325 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.107 179.671 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 46.2 ttm-85 . . . . . 0 N--CA 1.451 -0.418 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.17 -59.87 4.17 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.815 0.34 . . . . 0.0 111.003 178.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -64.87 -32.41 74.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.627 -177.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.3 mt -78.14 -34.82 49.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.639 0.257 . . . . 0.0 111.454 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -69.19 -30.29 68.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.054 0.454 . . . . 0.0 110.031 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -80.61 -30.14 36.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.426 ' O ' ' HA ' ' A' ' 40' ' ' TRP . . . -61.0 -32.37 71.95 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.64 171.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -64.67 -48.28 75.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.853 178.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.3 m -64.58 -40.01 94.77 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.53 177.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.415 ' HG2' ' HE2' ' A' ' 31' ' ' TYR . 5.9 tp-100 -59.92 -45.5 92.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.177 177.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.491 ' HA3' ' O ' ' A' ' 40' ' ' TRP . . . -61.09 -33.14 83.0 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.104 178.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -63.1 -46.46 87.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 177.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -70.99 -21.3 62.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.311 0.577 . . . . 0.0 109.942 176.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.59 -20.54 53.82 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.877 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.93 -12.38 81.28 Favored Glycine 0 N--CA 1.442 -0.916 0 C-N-CA 120.342 -0.932 . . . . 0.0 111.404 173.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mt -100.22 -54.33 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.723 0.773 . . . . 0.0 109.169 177.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -100.52 -34.91 9.72 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.437 -1.256 . . . . 0.0 112.293 -174.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.58 -19.53 73.46 Favored Glycine 0 CA--C 1.509 -0.311 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.16 -169.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 24' ' ' ARG . 19.5 ttm-85 67.31 -67.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 123.645 0.778 . . . . 0.0 112.671 179.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.7 m -110.22 173.99 6.07 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -169.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -78.47 -14.37 59.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.692 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -57.27 -21.64 35.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.833 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.598 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -89.35 26.94 1.54 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.151 -173.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 47.2 t -107.51 88.52 4.21 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 111.201 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.598 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 31.2 Cg_endo -99.14 32.75 0.11 Allowed 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 123.519 2.812 . . . . 0.0 114.284 -178.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.415 ' HE2' ' HG2' ' A' ' 15' ' ' GLN . 33.0 m-85 -109.05 -36.73 6.0 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -174.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.5 ' HB3' ' HB1' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -179.62 177.24 0.73 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 -174.785 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.438 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 30.4 mm-40 -101.02 -77.04 0.55 Allowed 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 118.732 0.696 . . . . 0.0 112.328 176.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.6 t -66.13 -54.95 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.141 0.495 . . . . 0.0 111.424 -172.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -68.77 -39.64 80.14 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.838 -174.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.5 ' HB1' ' HB3' ' A' ' 32' ' ' GLN . . . -63.45 -46.98 83.77 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 114.944 -1.026 . . . . 0.0 110.617 179.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -60.17 -36.93 78.7 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.006 -176.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.0 p -70.64 -31.39 68.31 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.248 -177.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -96.08 -55.75 2.87 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.386 -0.526 . . . . 0.0 112.176 178.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.491 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 85.6 t90 -59.84 -50.76 72.52 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 123.135 0.574 . . . . 0.0 110.953 -176.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.51 HD22 ' HG3' ' A' ' 45' ' ' ARG . 1.4 tt -76.13 -15.44 60.08 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -176.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.51 -44.31 97.77 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 173.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.23 -31.29 57.54 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.788 175.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -58.57 -52.24 66.48 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.025 0.441 . . . . 0.0 110.305 177.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.51 ' HG3' HD22 ' A' ' 41' ' ' LEU . 37.2 mtp-105 -61.55 -44.12 97.62 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.386 175.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -53.39 -48.21 68.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.952 -176.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.559 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 178.654 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 . . . . . 0 C--O 1.226 -0.153 0 N-CA-C 110.683 -0.117 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.48 ' O ' ' HD3' ' A' ' 11' ' ' ARG . 10.8 t70 -44.72 -58.88 2.79 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.658 0.599 . . . . 0.0 111.672 -175.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.7 ptp85 -63.2 -30.59 71.71 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.68 -174.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.486 HD11 ' HB3' ' A' ' 35' ' ' ASP . 96.6 mt -84.38 -31.37 24.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.815 0.34 . . . . 0.0 110.725 -178.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -62.51 -32.65 73.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 122.019 0.914 . . . . 0.0 109.408 173.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.48 ' HD3' ' O ' ' A' ' 7' ' ' ASP . 10.0 mpt_? -85.06 -42.14 15.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.794 -1.093 . . . . 0.0 109.447 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.64 -36.61 69.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.999 176.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -68.73 -42.64 77.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.199 0.523 . . . . 0.0 110.301 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.1 m -71.77 -38.79 70.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.424 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.0 -48.74 67.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.314 177.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.88 -38.1 87.34 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.651 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -60.27 -51.99 67.17 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 177.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.56 -33.23 75.15 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.58 -17.63 64.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 177.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.58 -41.45 57.39 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.354 174.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -84.34 -47.02 11.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.091 0.472 . . . . 0.0 110.484 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -97.35 -38.08 9.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.693 -173.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.48 -21.17 70.18 Favored Glycine 0 C--O 1.233 0.089 0 C-N-CA 120.393 -0.908 . . . . 0.0 111.847 -173.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 69.24 -61.1 0.44 Allowed 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 123.993 0.917 . . . . 0.0 112.459 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.4 m -106.42 169.3 8.6 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.182 0.515 . . . . 0.0 112.296 -171.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -81.38 -10.28 59.57 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.663 176.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -63.97 -14.39 53.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.802 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.617 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -88.99 21.64 3.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.118 -175.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.3 t -100.9 96.62 5.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 111.091 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.617 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 28.0 Cg_endo -96.52 18.41 0.59 Allowed 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 123.287 2.658 . . . . 0.0 113.794 179.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -96.76 -83.57 0.38 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -173.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.548 ' HB3' ' HB1' ' A' ' 36' ' ' ALA . 63.4 tt0 -138.34 177.85 7.57 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -171.155 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.515 ' O ' ' HB2' ' A' ' 37' ' ' ARG . 36.7 tt0 -99.7 -75.7 0.56 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -175.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.6 t -75.35 -52.87 17.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.314 0.578 . . . . 0.0 111.164 -172.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.486 ' HB3' HD11 ' A' ' 9' ' ' LEU . 29.5 m-20 -67.63 -41.92 83.14 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.308 -174.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.548 ' HB1' ' HB3' ' A' ' 32' ' ' GLN . . . -64.08 -31.19 72.29 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.821 177.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.515 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 49.8 ttt180 -61.15 -47.29 86.88 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.6 m -69.48 -32.26 71.04 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.447 -177.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.461 ' CG ' ' HB3' ' A' ' 9' ' ' LEU . 47.7 m-85 -92.21 -56.1 3.18 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -177.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 65.4 t90 -65.62 -52.53 51.18 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.65 -177.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 tt -72.62 -26.9 61.85 Favored 'General case' 0 C--N 1.334 -0.067 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -176.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.27 -46.4 94.35 Favored Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 174.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.75 -35.97 61.94 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.991 -0.623 . . . . 0.0 111.817 176.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -59.02 -50.06 75.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.979 0.419 . . . . 0.0 110.248 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -24.74 62.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.094 -178.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.49 -50.76 66.15 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 174.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.434 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.491 176.15 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 54.1 ttm-85 . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.721 0.296 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.61 -49.35 75.21 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.847 0.832 . . . . 0.0 110.029 176.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -60.99 -35.73 77.6 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.087 -1.415 . . . . 0.0 111.089 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.406 ' CD1' ' HB3' ' A' ' 35' ' ' ASP . 43.2 mt -88.51 -30.97 18.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.095 -175.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -69.77 -26.72 64.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.613 0.72 . . . . 0.0 109.319 176.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.5 ttm105 -79.46 -36.06 39.4 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 174.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.8 -29.56 70.23 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.358 173.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -68.84 -45.97 69.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.429 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.2 t -68.96 -36.96 78.52 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 176.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -60.32 -43.54 96.28 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.764 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.32 -36.87 93.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.345 -0.455 . . . . 0.0 112.347 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -57.63 -51.48 69.35 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.429 ' HA ' HD21 ' A' ' 21' ' ' LEU . 18.5 tptm -70.8 -25.99 63.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.273 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.78 -18.59 64.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.162 0.506 . . . . 0.0 110.37 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.37 -33.77 83.07 Favored Glycine 0 N--CA 1.438 -1.201 0 C-N-CA 120.438 -0.887 . . . . 0.0 111.501 172.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.429 HD21 ' HA ' ' A' ' 18' ' ' LYS . 1.1 mm? -91.3 -45.33 8.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.321 0.581 . . . . 0.0 110.031 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.04 -40.13 8.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.798 -171.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.43 -12.48 80.37 Favored Glycine 0 C--O 1.23 -0.125 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.629 -169.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.2 ttm-85 68.58 -76.32 0.06 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.196 0.599 . . . . 0.0 112.143 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.2 m -113.08 176.24 5.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.023 0.439 . . . . 0.0 111.9 -171.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.499 ' HG2' HD23 ' A' ' 41' ' ' LEU . 13.9 mt-30 -76.36 -20.85 56.8 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.042 177.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -60.0 -22.62 62.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.918 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.508 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -84.54 28.4 0.66 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.671 -176.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 53.7 t -107.55 93.19 9.62 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.768 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.508 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 63.4 Cg_endo -92.34 57.9 0.69 Allowed 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 123.205 2.604 . . . . 0.0 112.554 178.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -132.01 -71.62 0.54 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.477 ' HB3' ' HB1' ' A' ' 36' ' ' ALA . 6.4 tp-100 -156.13 179.21 9.44 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -174.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.422 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 99.6 mt-30 -100.08 -77.15 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 176.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 46.2 t -68.65 -50.13 58.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.221 0.534 . . . . 0.0 111.128 -173.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.406 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 5.7 m-20 -64.01 -40.87 97.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.638 0.733 . . . . 0.0 109.73 -177.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.477 ' HB1' ' HB3' ' A' ' 32' ' ' GLN . . . -70.4 -34.35 72.44 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.954 -179.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.679 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 17.9 ttt180 -56.5 -49.52 74.47 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 176.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.9 m -67.12 -39.07 86.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.059 -173.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -93.71 -57.88 2.43 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -176.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.436 ' CZ3' ' HA ' ' A' ' 26' ' ' GLN . 83.8 t90 -63.74 -43.63 95.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.712 -175.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.679 ' HB2' ' O ' ' A' ' 37' ' ' ARG . 17.2 mt -78.68 -17.88 55.26 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.909 -178.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.62 -46.29 94.03 Favored Glycine 0 N--CA 1.44 -1.084 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.571 176.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.99 -34.61 55.4 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.828 176.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -62.08 -49.57 75.41 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.928 0.394 . . . . 0.0 110.694 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -71.48 -29.21 64.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.166 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.27 -47.99 74.78 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.064 -0.346 . . . . 0.0 110.064 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.375 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.284 176.965 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? . . . . . 0 C--O 1.226 -0.151 0 CA-C-O 120.716 0.293 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -54.28 -73.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.288 -174.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 8' ' ' ARG . 20.3 ptt-85 -69.7 -19.64 63.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.06 0.457 . . . . 0.0 111.056 -174.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.451 ' CD1' ' HB3' ' A' ' 35' ' ' ASP . 42.0 mt -77.91 -41.33 36.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.456 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.472 ' O ' ' HB3' ' A' ' 13' ' ' GLN . 42.6 tt0 -67.51 -28.48 67.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.489 0.661 . . . . 0.0 110.151 178.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -76.48 -33.05 58.68 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.451 176.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.88 -28.07 68.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.271 171.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.472 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 32.3 tt0 -64.03 -49.73 71.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.682 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.2 m -69.0 -33.86 74.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.397 176.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -63.73 -43.37 96.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.459 177.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 40' ' ' TRP . . . -59.77 -41.01 97.38 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.829 -179.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -58.85 -52.62 64.95 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -59.62 -39.03 82.93 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.62 177.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.12 -19.82 65.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.521 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.97 -33.08 65.7 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.401 -0.904 . . . . 0.0 112.139 174.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -92.33 -38.97 11.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.552 0.692 . . . . 0.0 110.287 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -94.62 -43.51 8.26 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.878 -171.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.14 -17.05 58.3 Favored Glycine 0 CA--C 1.506 -0.501 0 C-N-CA 120.114 -1.041 . . . . 0.0 111.073 -175.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.2 ttp-105 68.1 -57.8 0.47 Allowed 'General case' 0 CA--C 1.537 0.444 0 O-C-N 124.568 0.805 . . . . 0.0 112.402 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.3 m -102.28 175.82 5.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.105 0.479 . . . . 0.0 111.863 -175.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -86.19 -8.42 57.82 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.664 0.745 . . . . 0.0 109.396 176.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -69.58 -6.54 31.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.578 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.627 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -88.29 14.36 9.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.549 -178.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 41.4 t -97.52 100.3 7.91 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.661 0.267 . . . . 0.0 111.156 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.627 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 29.6 Cg_endo -95.07 14.91 1.18 Allowed 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 123.417 2.745 . . . . 0.0 113.529 176.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -92.1 -90.44 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -172.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.497 ' HB3' ' HB1' ' A' ' 36' ' ' ALA . 48.3 tt0 -139.21 -177.68 5.02 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -173.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -100.95 -77.52 0.54 Allowed 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 88.3 t -65.06 -54.73 25.95 Favored 'Isoleucine or valine' 0 C--O 1.241 0.65 0 CA-C-O 121.373 0.606 . . . . 0.0 111.196 -172.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.451 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 6.2 m-20 -66.07 -43.75 86.47 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.677 -176.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.497 ' HB1' ' HB3' ' A' ' 32' ' ' GLN . . . -64.27 -40.44 95.99 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.391 -178.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.414 ' HA ' ' HB2' ' A' ' 41' ' ' LEU . 42.7 mtm105 -57.61 -41.52 81.42 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.446 176.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.2 m -65.62 -32.47 74.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.828 -175.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -99.97 -59.73 1.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.109 0.48 . . . . 0.0 112.036 -178.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.4 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 80.1 t90 -66.03 -47.7 73.53 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.205 -175.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.414 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -76.49 -25.46 54.28 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -175.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.81 -44.4 98.06 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 174.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.38 -39.3 61.83 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.849 177.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 78.7 t90 -57.51 -52.27 66.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.296 0.569 . . . . 0.0 110.38 178.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -31.59 71.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.524 -177.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -68.03 -43.61 78.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.394 -177.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.567 0 CA-C-O 121.51 0.671 . . . . 0.0 110.06 175.235 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.886 0.375 . . . . 0.0 110.089 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.568 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 1.4 m-20 -57.87 -56.16 25.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.634 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -63.58 -28.1 69.7 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.44 -178.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.469 HD12 ' HB3' ' A' ' 35' ' ' ASP . 98.0 mt -77.27 -37.28 53.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.493 -178.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -69.82 -28.58 65.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.521 0.676 . . . . 0.0 109.543 177.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' A' ' 7' ' ' ASP . 96.5 mtt180 -72.84 -41.51 64.75 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 174.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.515 ' HB2' ' HB2' ' A' ' 40' ' ' TRP . . . -62.77 -29.26 70.57 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.095 174.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -68.79 -42.59 77.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.285 0.564 . . . . 0.0 109.581 178.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.5 t -71.21 -44.42 65.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.97 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -61.73 -44.19 97.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.68 178.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.89 -37.02 83.03 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.019 178.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -58.53 -52.74 64.36 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 176.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.568 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 83.1 tttt -65.74 -31.31 72.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.929 0.395 . . . . 0.0 110.485 177.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.26 -22.39 66.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.296 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.1 -31.32 77.4 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.204 176.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -99.82 -49.23 4.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.118 0.485 . . . . 0.0 110.923 178.374 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -101.0 -25.56 14.02 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.656 -170.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.63 -15.54 75.55 Favored Glycine 0 CA--C 1.505 -0.591 0 C-N-CA 120.055 -1.069 . . . . 0.0 110.776 -178.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.3 mtp85 59.07 -70.64 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.7 m -106.45 163.48 12.83 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.21 0.528 . . . . 0.0 112.144 -171.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.412 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 39.1 mt-30 -74.95 -8.68 57.19 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.064 176.019 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -60.16 -23.6 64.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.394 176.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.627 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -87.22 31.24 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.048 -173.255 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.5 t -104.51 90.87 3.59 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-O 120.846 0.355 . . . . 0.0 110.786 178.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.627 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 40.4 Cg_endo -96.45 -8.36 1.06 Allowed 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.065 2.51 . . . . 0.0 115.113 -177.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -76.3 -45.22 33.45 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 -169.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.592 ' HG2' ' HB2' ' A' ' 35' ' ' ASP . 38.0 tp60 -160.31 176.98 11.09 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -177.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.418 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 26.0 tp60 -101.22 -75.25 0.59 Allowed 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.116 -0.634 . . . . 0.0 112.039 176.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.6 t -74.74 -50.53 25.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 CA-C-O 121.429 0.633 . . . . 0.0 110.618 -174.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.592 ' HB2' ' HG2' ' A' ' 32' ' ' GLN . 7.0 m-20 -63.07 -37.29 86.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.139 -177.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.508 ' HB1' ' HB3' ' A' ' 32' ' ' GLN . . . -72.01 -28.8 63.62 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.886 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -59.24 -51.35 70.35 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.308 -0.557 . . . . 0.0 109.857 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.3 m -69.16 -32.99 72.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.047 -176.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.422 ' CG ' ' HB3' ' A' ' 9' ' ' LEU . 43.6 m-85 -87.65 -63.67 1.27 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -178.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.515 ' HB2' ' HB2' ' A' ' 12' ' ' ALA . 80.0 t90 -64.49 -47.48 78.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.238 -174.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 tt -72.95 -25.14 60.92 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -176.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.98 -40.15 95.16 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.462 174.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.91 -33.75 59.61 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.486 174.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 82.3 t90 -59.98 -53.97 51.6 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 177.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -64.61 -28.29 69.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.162 178.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -58.13 -61.61 2.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.182 0.515 . . . . 0.0 109.837 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.993 -179.636 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 pmm? . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 121.182 0.515 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -152.76 -41.27 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.244 0.545 . . . . 0.0 110.105 -175.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -90.95 47.33 1.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.878 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.491 ' HA ' ' OD2' ' A' ' 7' ' ' ASP . 49.9 mt-30 -85.13 8.34 18.49 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -173.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -70.88 -47.87 56.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.947 0.403 . . . . 0.0 110.081 175.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.7 ttp-105 -75.4 -36.84 60.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.92 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.491 ' OD2' ' HA ' ' A' ' 4' ' ' GLN . 44.0 m-20 -48.18 -62.22 1.59 Allowed 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -172.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -68.33 -19.76 64.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.738 0.304 . . . . 0.0 111.259 -172.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.1 mt -89.76 -34.75 16.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.987 0.422 . . . . 0.0 110.581 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.42 -34.86 73.01 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.119 177.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.4 mtm-85 -91.92 -26.58 18.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.441 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.28 -30.93 71.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.848 171.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -60.02 -42.74 95.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.281 178.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.3 m -79.2 -39.21 33.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.558 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.633 ' HG2' ' HE2' ' A' ' 31' ' ' TYR . 5.8 tp-100 -60.68 -43.36 97.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.72 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.99 -40.36 98.36 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.159 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -60.44 -49.75 76.34 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -63.01 -36.34 83.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.449 178.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.15 -21.92 66.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.969 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.78 -43.23 92.19 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.523 -0.846 . . . . 0.0 111.903 174.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -85.58 -48.38 8.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.227 0.537 . . . . 0.0 110.787 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -98.22 -37.48 9.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.572 -172.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.39 -10.72 83.15 Favored Glycine 0 CA--C 1.51 -0.243 0 C-N-CA 120.285 -0.96 . . . . 0.0 112.451 -169.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 64.93 -64.52 0.16 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.791 0.836 . . . . 0.0 112.656 -177.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.6 m -120.01 176.65 5.32 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -166.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.538 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 9.6 mt-30 -85.56 -5.92 59.23 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.939 178.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -62.96 -21.13 65.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.212 -0.903 . . . . 0.0 110.048 177.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.68 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -101.09 40.28 1.3 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.542 -175.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.1 p -106.67 81.95 0.96 Allowed Pre-proline 0 CA--C 1.543 0.71 0 CA-C-O 121.093 0.473 . . . . 0.0 110.749 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.68 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 48.0 Cg_endo -97.41 41.97 0.1 Allowed 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 123.24 2.627 . . . . 0.0 114.107 -170.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.633 ' HE2' ' HG2' ' A' ' 15' ' ' GLN . 96.9 m-85 -119.36 -105.9 0.38 Allowed 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.73 178.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.55 ' HG2' ' HB2' ' A' ' 35' ' ' ASP . 41.0 tp60 -93.52 177.96 5.86 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 176.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.411 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 76.8 mt-30 -101.62 -75.36 0.59 Allowed 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.93 -0.481 . . . . 0.0 111.176 174.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.5 ' O ' ' HB3' ' A' ' 37' ' ' ARG . 58.5 t -70.51 -46.98 67.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-O 121.5 0.667 . . . . 0.0 111.645 -174.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.55 ' HB2' ' HG2' ' A' ' 32' ' ' GLN . 8.3 m-20 -69.92 -25.99 63.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.934 -178.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 40' ' ' TRP . . . -78.66 -25.03 44.86 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.046 177.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.5 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 22.8 ttt85 -59.09 -53.84 53.79 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 171.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.2 p -70.55 -24.34 62.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.615 -175.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -96.95 -69.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.027 0.442 . . . . 0.0 112.032 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.538 ' CH2' ' HA ' ' A' ' 26' ' ' GLN . 68.4 t90 -61.21 -45.01 96.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.336 -175.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 0.5 OUTLIER -76.07 -21.78 56.35 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-O 121.197 0.523 . . . . 0.0 110.035 -175.164 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.29 -47.81 61.82 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.27 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.89 -34.21 71.25 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.656 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.552 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 84.5 t90 -58.06 -53.82 53.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.882 0.372 . . . . 0.0 110.52 178.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 49.2 mtm105 -63.36 -36.62 84.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.094 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -66.31 -50.45 63.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.807 -177.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.39 -48.45 76.88 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.27 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' A' ' 44' ' ' TRP . 28.5 mtp180 -61.25 -51.95 66.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.607 -178.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.477 ' HA ' ' HB3' ' A' ' 52' ' ' GLN . 12.9 t70 -69.95 -15.2 63.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.911 0.386 . . . . 0.0 111.538 -174.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -80.44 -40.43 26.34 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -83.16 -16.43 46.72 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.477 ' HB3' ' HA ' ' A' ' 49' ' ' ASP . 6.4 tp60 -78.58 -36.01 45.02 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 113.988 -1.46 . . . . 0.0 110.139 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.8 p -68.74 -25.2 64.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.597 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -67.32 -26.2 73.53 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.973 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.57 49.35 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.887 0.375 . . . . 0.0 110.583 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -77.49 68.68 3.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.617 0.722 . . . . 0.0 109.793 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -86.64 -54.12 4.57 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.312 -0.858 . . . . 0.0 108.863 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 24.5 mt -95.78 156.63 16.25 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.919 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.22 -19.16 32.09 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.249 0.547 . . . . 0.0 109.788 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.61 -175.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.668 0.27 . . . . 0.0 111.554 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -112.42 -5.01 14.12 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -171.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.443 ' HA ' ' HD3' ' A' ' 3' ' ' ARG . 6.4 mmt180 -119.0 -14.39 9.37 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 178.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 52.38 34.88 15.95 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.82 0.343 . . . . 0.0 111.345 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -61.23 -43.34 99.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.751 -175.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.406 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 33.0 ttt180 -66.99 -36.83 83.04 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.017 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -58.13 -52.18 66.62 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 122.183 0.992 . . . . 0.0 110.077 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -64.36 -39.49 93.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.143 -1.389 . . . . 0.0 110.941 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.496 ' CD2' ' HA ' ' A' ' 36' ' ' ALA . 79.5 mt -78.98 -22.74 45.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.365 -178.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 5.1 tp10 -60.18 -38.91 84.7 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 172.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -75.76 -41.23 53.76 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 114.502 -1.226 . . . . 0.0 109.485 177.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.82 -33.98 64.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.873 175.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -73.37 -45.76 53.06 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.819 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -70.41 -37.7 74.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.863 0.363 . . . . 0.0 110.339 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -73.0 -29.26 62.89 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.38 -45.83 95.45 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.408 ' CD2' ' HB3' ' A' ' 47' ' ' ALA . 45.5 t80 -56.6 -50.45 71.94 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 175.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -61.95 -35.23 77.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.869 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.54 -20.27 66.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.15 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.63 84.83 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.062 -1.066 . . . . 0.0 111.549 171.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -91.85 -39.01 11.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.554 0.693 . . . . 0.0 109.845 178.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.0 -46.64 11.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.932 -1.031 . . . . 0.0 112.504 -173.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.09 -29.62 6.72 Favored Glycine 0 CA--C 1.51 -0.256 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.666 -170.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 73.4 -43.26 0.55 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.753 0.821 . . . . 0.0 112.64 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 62.5 m -104.91 164.48 11.76 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.981 0.42 . . . . 0.0 111.924 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -77.43 -17.01 58.5 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.108 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -68.51 -3.37 11.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.82 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.567 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -88.01 20.3 3.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.545 177.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 48.5 t -102.12 92.16 2.94 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.139 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.567 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 83.2 Cg_endo -85.81 -14.26 5.39 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.071 2.514 . . . . 0.0 114.668 -175.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.417 ' HE2' ' CD1' ' A' ' 40' ' ' TRP . 2.5 m-85 -70.18 -71.32 0.25 Allowed 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.826 0.822 . . . . 0.0 111.507 -172.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.514 ' HG2' ' H ' ' A' ' 33' ' ' GLN . 43.9 tt0 -149.41 179.62 7.81 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 -176.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.514 ' H ' ' HG2' ' A' ' 32' ' ' GLN . 80.3 mt-30 -98.17 -75.79 0.54 Allowed 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 120.084 -0.646 . . . . 0.0 112.072 173.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 76.9 t -59.79 -58.68 6.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -169.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -70.18 -44.0 69.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.734 0.778 . . . . 0.0 109.362 -174.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.496 ' HA ' ' CD2' ' A' ' 9' ' ' LEU . . . -53.58 -53.21 55.04 Favored 'General case' 0 C--O 1.213 -0.848 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.858 177.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -66.06 -22.24 66.41 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -177.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.5 m -67.87 -32.72 73.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.119 0.485 . . . . 0.0 109.799 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -95.91 -50.29 4.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.345 0.593 . . . . 0.0 111.911 174.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.417 ' CD1' ' HE2' ' A' ' 31' ' ' TYR . 72.7 t90 -69.14 -53.15 21.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.536 -171.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.459 HD22 ' O ' ' A' ' 41' ' ' LEU . 2.6 tt -67.08 -33.27 75.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.734 0.302 . . . . 0.0 110.686 -171.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.11 -47.54 90.3 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.772 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.01 -34.17 65.09 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.69 -0.766 . . . . 0.0 111.645 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -58.25 -53.9 53.04 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.673 0.273 . . . . 0.0 111.169 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 50.2 ttp85 -66.99 -36.9 83.2 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -176.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -59.05 -47.73 84.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.684 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.408 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . . . -62.79 -52.51 62.88 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.078 178.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.585 ' O ' ' HB2' ' A' ' 52' ' ' GLN . 79.8 ttt180 -57.97 -47.24 83.54 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.495 -177.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.506 ' HA ' ' HB3' ' A' ' 52' ' ' GLN . 15.9 t70 -73.85 -16.89 61.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.818 0.342 . . . . 0.0 111.351 -177.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -75.35 -38.52 60.07 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 -175.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -90.09 -18.65 25.49 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 178.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.585 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 42.9 tp60 -71.59 -54.15 11.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.471 -1.241 . . . . 0.0 109.593 178.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.8 m -79.19 -8.13 58.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.671 178.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -67.76 -24.39 74.15 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 121.057 -0.592 . . . . 0.0 111.763 177.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 91.7 mt 62.13 67.86 0.71 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.198 0.523 . . . . 0.0 111.915 175.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -86.4 15.08 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.855 174.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.3 mttm 77.75 86.07 0.07 Allowed 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.824 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.16 -41.77 81.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.201 -1.363 . . . . 0.0 110.05 176.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -70.77 133.65 46.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.531 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 29.6 m170 . . . . . 0 C--N 1.322 -0.606 0 CA-C-O 121.532 0.682 . . . . 0.0 112.299 -174.114 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -78.29 88.76 4.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.305 0.574 . . . . 0.0 111.623 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -157.91 39.19 0.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 171.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -76.27 -174.4 2.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.385 -174.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.9 mptm? -66.54 -68.07 0.4 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.695 170.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -54.82 -34.44 62.79 Favored 'General case' 0 C--O 1.222 -0.364 0 O-C-N 123.581 0.55 . . . . 0.0 110.796 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -54.59 -67.29 0.28 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.574 0.702 . . . . 0.0 111.615 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.6 ptt-85 -79.46 -10.56 59.83 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.955 -173.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.504 HD12 ' HB3' ' A' ' 35' ' ' ASP . 64.2 mt -82.23 -33.56 29.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.022 0.439 . . . . 0.0 110.099 172.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -60.66 -38.98 86.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.619 173.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -85.74 -30.25 23.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.689 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.551 ' HB2' ' HB2' ' A' ' 40' ' ' TRP . . . -60.48 -32.88 71.84 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.436 172.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -62.4 -47.52 83.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.469 0.652 . . . . 0.0 109.633 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.5 m -71.24 -41.98 69.43 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.051 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.823 HE21 ' HA ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -61.62 -42.49 98.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.53 177.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.48 -43.66 95.79 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.573 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.41 ' CD1' ' HB3' ' A' ' 47' ' ' ALA . 69.3 t80 -63.93 -39.3 93.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.132 0.491 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 70.8 tttt -74.59 -17.62 60.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.193 0.521 . . . . 0.0 110.105 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.28 -24.23 27.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.429 -175.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.18 -35.92 92.24 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 119.912 -1.137 . . . . 0.0 110.975 172.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.476 ' CD2' ' HB1' ' A' ' 47' ' ' ALA . 0.3 OUTLIER -83.61 -55.53 4.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.446 0.641 . . . . 0.0 109.603 178.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 33.7 m-80 -94.41 -36.8 11.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.027 -0.988 . . . . 0.0 113.08 -170.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.5 -21.69 63.85 Favored Glycine 0 CA--C 1.511 -0.189 0 C-N-CA 120.226 -0.988 . . . . 0.0 111.759 -171.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 60.68 -63.24 0.07 Allowed 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.791 1.236 . . . . 0.0 113.297 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 m -99.45 167.77 10.41 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.087 0.47 . . . . 0.0 111.478 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.533 ' NE2' HD12 ' A' ' 41' ' ' LEU . 11.8 mt-30 -78.99 -12.97 60.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.927 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -77.51 14.7 0.93 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.428 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.571 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -108.45 24.29 13.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.289 177.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.424 ' SG ' ' HB2' ' A' ' 36' ' ' ALA . 35.8 t -102.9 94.46 5.34 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.442 -179.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.571 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 42.8 Cg_endo -93.33 26.15 0.38 Allowed 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 123.497 2.798 . . . . 0.0 113.646 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.766 ' HE2' ' HG2' ' A' ' 15' ' ' GLN . 89.6 m-85 -108.92 -46.03 3.69 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -175.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.555 ' HG2' ' HB2' ' A' ' 35' ' ' ASP . 6.5 tp60 -176.77 175.76 1.6 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -173.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.473 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 49.5 mt-30 -101.08 -73.89 0.63 Allowed 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 174.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.4 t -71.57 -48.22 53.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 121.103 0.478 . . . . 0.0 111.24 -173.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.555 ' HB2' ' HG2' ' A' ' 32' ' ' GLN . 5.9 m-20 -67.27 -38.61 85.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.829 0.823 . . . . 0.0 109.402 -178.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.511 ' HB1' ' HB3' ' A' ' 32' ' ' GLN . . . -72.03 -26.17 62.09 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.6 178.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.469 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 19.4 ttt180 -61.97 -50.22 72.96 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.2 p -71.06 -29.79 65.77 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.716 -175.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -95.29 -63.58 1.15 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.57 -0.452 . . . . 0.0 112.128 178.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.551 ' HB2' ' HB2' ' A' ' 12' ' ' ALA . 85.1 t90 -64.68 -45.97 84.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.534 -174.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.533 HD12 ' NE2' ' A' ' 26' ' ' GLN . 1.5 tt -75.67 -25.8 57.08 Favored 'General case' 0 C--N 1.334 -0.07 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -173.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.14 -48.9 75.89 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.603 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.87 -35.02 72.13 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.489 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -57.21 -50.67 72.14 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 176.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.415 ' HD3' ' O ' ' A' ' 45' ' ' ARG . 2.7 tmt_? -58.72 -45.08 90.39 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.511 -177.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -55.58 -58.95 5.66 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.511 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.476 ' HB1' ' CD2' ' A' ' 21' ' ' LEU . . . -63.01 -42.21 99.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.674 -178.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.432 ' O ' ' HB2' ' A' ' 52' ' ' GLN . 23.9 tpt85 -54.37 -54.09 45.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.013 -178.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.42 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 30.8 t70 -81.91 -10.61 59.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.851 0.358 . . . . 0.0 111.766 -175.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -85.84 -26.51 25.65 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -86.9 -19.74 28.41 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 174.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.432 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 0.8 OUTLIER -83.04 -61.92 1.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.003 -1.453 . . . . 0.0 110.477 -179.148 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.632 ' HA ' ' HB2' ' A' ' 56' ' ' TYR . 66.6 m -77.18 -20.13 55.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.48 -177.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.28 -46.5 94.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.955 -0.64 . . . . 0.0 111.96 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -113.28 34.24 4.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.784 0.326 . . . . 0.0 110.236 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.632 ' HB2' ' HA ' ' A' ' 53' ' ' SER . 61.5 t80 -72.94 65.69 0.75 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.46 0.648 . . . . 0.0 110.301 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -107.05 8.98 30.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.394 0.616 . . . . 0.0 109.951 176.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.424 HD23 ' H ' ' A' ' 58' ' ' LEU . 0.4 OUTLIER -72.19 172.07 10.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.783 174.322 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 71.97 0.77 3.66 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.68 0.752 . . . . 0.0 110.1 -173.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 32.5 m80 . . . . . 0 N--CA 1.451 -0.395 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.184 175.939 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 120.925 0.393 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -82.32 113.4 20.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.218 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.403 ' C ' ' H ' ' A' ' 5' ' ' LYS . 2.2 mpp_? -81.49 70.69 8.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.886 0.851 . . . . 0.0 109.47 178.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.588 ' HA ' ' OD2' ' A' ' 7' ' ' ASP . 10.4 pt20 -69.04 12.42 0.15 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 113.972 -1.467 . . . . 0.0 113.115 -176.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' A' ' 3' ' ' ARG . 44.9 mmtm -62.37 -45.45 93.11 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 172.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 ttp-105 -59.26 -39.7 83.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.41 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.588 ' OD2' ' HA ' ' A' ' 4' ' ' GLN . 13.8 m-20 -57.65 -57.15 13.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.787 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -70.9 -21.74 62.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.479 -177.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.5 mt -77.68 -41.5 37.85 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.463 0.171 . . . . 0.0 111.463 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -71.14 -22.12 62.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.239 0.542 . . . . 0.0 110.03 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -75.93 -40.09 54.87 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 174.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.59 ' HB2' ' HB2' ' A' ' 40' ' ' TRP . . . -64.16 -33.53 76.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.21 174.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -59.65 -48.25 82.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.478 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -74.85 -41.21 60.3 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.304 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -60.56 -40.93 93.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.412 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.23 -42.16 98.57 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.861 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -64.42 -37.95 89.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.095 0.474 . . . . 0.0 110.22 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -76.17 -23.72 54.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.029 0.442 . . . . 0.0 110.284 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.89 -20.3 42.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.713 -176.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.461 ' HA3' ' HB2' ' A' ' 47' ' ' ALA . . . -71.1 -20.39 77.92 Favored Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 119.904 -1.141 . . . . 0.0 111.213 173.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -100.69 -49.71 4.09 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.497 0.665 . . . . 0.0 109.644 178.441 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.23 -37.63 11.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.901 -1.045 . . . . 0.0 112.423 -174.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.06 -17.54 67.05 Favored Glycine 0 CA--C 1.51 -0.272 0 C-N-CA 120.208 -0.996 . . . . 0.0 112.251 -170.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 61.08 -68.51 0.05 OUTLIER 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.19 0.996 . . . . 0.0 113.36 -178.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.9 m -94.98 173.59 7.51 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.131 0.491 . . . . 0.0 111.34 -174.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.426 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 55.7 mt-30 -84.38 -9.48 58.39 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.605 0.717 . . . . 0.0 109.292 174.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -68.69 -10.02 53.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.004 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.537 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -86.08 16.97 3.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.492 -178.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.6 t -102.2 96.32 6.89 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.97 0.414 . . . . 0.0 110.995 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.537 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 58.4 Cg_endo -89.26 -2.73 6.08 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 122.787 2.324 . . . . 0.0 113.216 177.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -76.25 -62.5 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -171.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -167.65 -176.55 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 -176.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.601 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 83.7 mm-40 -102.51 -76.91 0.57 Allowed 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 178.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.4 t -61.31 -58.94 5.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.55 0.691 . . . . 0.0 111.634 -172.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -68.7 -33.2 73.55 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.446 -173.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' A' ' 40' ' ' TRP . . . -71.78 -27.74 63.16 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.493 179.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.601 ' HG3' ' O ' ' A' ' 33' ' ' GLN . 95.3 mtt180 -64.31 -46.34 83.98 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 119.873 -0.731 . . . . 0.0 110.036 175.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.3 m -64.32 -32.15 73.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.137 -177.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -94.81 -66.04 0.94 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.094 0.473 . . . . 0.0 111.963 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.59 ' HB2' ' HB2' ' A' ' 12' ' ' ALA . 77.3 t90 -65.31 -49.29 70.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.51 -175.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.587 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 1.2 tt -75.96 -31.76 59.2 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -171.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.84 -46.22 94.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.41 174.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.67 -35.21 73.69 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.711 175.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -59.35 -43.29 92.82 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 122.409 0.283 . . . . 0.0 110.661 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' ' 41' ' ' LEU . 62.4 mtp180 -69.09 -33.01 72.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.096 -179.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -68.82 -43.46 75.54 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.33 0.586 . . . . 0.0 109.677 175.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.461 ' HB2' ' HA3' ' A' ' 20' ' ' GLY . . . -60.93 -41.6 96.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.642 175.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.438 ' O ' ' HB2' ' A' ' 52' ' ' GLN . 3.6 mmp_? -55.71 -47.81 76.22 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.605 173.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.29 -23.6 65.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.707 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -80.92 -35.34 32.55 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.577 0.703 . . . . 0.0 109.608 -177.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.417 ' HD2' ' HA ' ' A' ' 21' ' ' LEU . 29.5 mtpp -90.87 -10.66 41.81 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.489 ' HA ' ' OE1' ' A' ' 52' ' ' GLN . 5.8 tp60 -85.86 -34.62 20.96 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.183 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.1 m -67.54 -24.06 65.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.633 176.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.16 -16.04 63.55 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.426 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.7 mt 67.6 -59.99 0.4 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.254 1.022 . . . . 0.0 111.844 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -155.6 -60.72 0.11 Allowed 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.795 -173.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -159.41 72.72 0.55 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.162 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 72.1 mt -100.45 -163.46 1.03 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.538 174.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -68.68 131.18 44.77 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.417 175.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 121.511 0.672 . . . . 0.0 109.28 175.572 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.49 0.186 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 65.7 tttt 59.57 67.87 0.85 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.914 166.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -102.18 23.38 11.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.16 -178.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -92.65 87.15 5.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.845 0.355 . . . . 0.0 111.449 -178.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.408 ' HE2' ' HB3' ' A' ' 5' ' ' LYS . 49.1 mtpt -107.7 -58.66 1.94 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.54 0.686 . . . . 0.0 109.806 175.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -74.32 -28.84 61.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.141 -177.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -51.81 -60.16 3.49 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.063 178.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -69.34 -27.51 65.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.572 -176.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.2 mt -74.79 -38.53 62.11 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.969 -0.293 . . . . 0.0 111.46 -178.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -67.2 -29.76 69.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.67 0.748 . . . . 0.0 109.474 173.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -70.99 -39.56 72.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.187 -0.915 . . . . 0.0 108.829 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.44 ' HB2' ' HB2' ' A' ' 40' ' ' TRP . . . -63.95 -30.64 71.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.286 173.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -63.69 -50.54 68.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.051 0.453 . . . . 0.0 109.977 177.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.3 m -65.5 -37.71 87.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.45 177.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -65.07 -43.26 92.81 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.783 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.3 -37.72 94.25 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 112.213 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -64.52 -40.73 96.17 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -69.12 -30.4 68.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.401 175.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.21 -22.72 54.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.496 -177.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.435 ' HA3' ' HB3' ' A' ' 47' ' ' ALA . . . -69.72 -22.83 76.93 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.395 -0.907 . . . . 0.0 111.664 174.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.403 ' CD2' ' HB2' ' A' ' 47' ' ' ALA . 0.2 OUTLIER -98.79 -47.41 5.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.363 0.601 . . . . 0.0 109.452 177.768 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -100.12 -37.69 8.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.926 -1.033 . . . . 0.0 112.849 -171.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.55 -22.12 70.7 Favored Glycine 0 CA--C 1.507 -0.453 0 C-N-CA 120.103 -1.046 . . . . 0.0 111.766 -171.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 66.24 -61.25 0.29 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.589 0.756 . . . . 0.0 112.7 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.6 m -105.17 172.61 6.7 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.005 0.431 . . . . 0.0 111.746 -174.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -81.17 -14.27 57.77 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-O 121.647 0.737 . . . . 0.0 109.221 175.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -58.17 -10.94 2.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.418 -1.264 . . . . 0.0 111.105 177.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.453 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -92.01 22.41 4.34 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.688 -177.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 47.4 t -108.81 90.46 7.6 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-O 120.946 0.403 . . . . 0.0 111.231 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 52.1 Cg_endo -91.14 16.81 1.51 Allowed 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 123.199 2.599 . . . . 0.0 113.861 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -100.73 -68.33 0.82 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.003 0.43 . . . . 0.0 112.149 -172.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.449 ' HB3' ' HB1' ' A' ' 36' ' ' ALA . 6.3 tp-100 -154.66 176.29 12.61 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -175.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.435 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 6.7 tp-100 -101.14 -76.01 0.57 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.905 176.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.9 t -63.97 -54.93 25.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 121.4 0.619 . . . . 0.0 111.373 -173.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.84 -42.64 99.82 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.845 0.831 . . . . 0.0 109.521 -177.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.449 ' HB1' ' HB3' ' A' ' 32' ' ' GLN . . . -70.67 -28.84 65.09 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.783 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.536 ' HA ' ' HB2' ' A' ' 41' ' ' LEU . 32.7 ttt85 -57.97 -49.08 78.03 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 174.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.6 t -63.86 -41.46 97.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.526 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -89.0 -60.75 1.87 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.44 ' HB2' ' HB2' ' A' ' 12' ' ' ALA . 73.9 t90 -70.6 -50.26 39.04 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.433 -174.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.536 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 2.1 tt -76.32 -34.07 59.02 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -170.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.84 -43.62 97.81 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.825 -0.703 . . . . 0.0 111.427 174.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.5 -36.03 82.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.87 177.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -57.14 -47.67 80.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.83 0.348 . . . . 0.0 110.547 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -66.88 -36.56 82.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.213 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -71.15 -40.65 71.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.851 0.358 . . . . 0.0 110.471 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.435 ' HB3' ' HA3' ' A' ' 20' ' ' GLY . . . -58.07 -40.83 82.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.818 177.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -54.66 -52.44 62.32 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.877 174.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.536 ' HA ' ' HB2' ' A' ' 52' ' ' GLN . 36.1 t70 -69.92 -13.67 62.36 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.824 -176.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -85.52 -28.9 24.63 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.788 0.804 . . . . 0.0 109.101 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -92.54 -16.11 26.13 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.536 ' HB2' ' HA ' ' A' ' 49' ' ' ASP . 14.2 mm-40 -89.65 -24.1 21.72 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.332 -1.304 . . . . 0.0 111.624 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.0 p -77.35 -7.55 56.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.081 0.467 . . . . 0.0 111.031 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.1 -14.76 76.41 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.104 -0.57 . . . . 0.0 111.922 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 55' ' ' LEU . 6.4 mp -90.95 -62.15 1.51 Allowed 'General case' 0 C--O 1.237 0.419 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 178.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.547 ' O ' ' HB2' ' A' ' 57' ' ' LYS . 66.8 t80 69.14 -64.58 0.33 Allowed 'General case' 0 CA--C 1.533 0.291 0 O-C-N 124.569 1.168 . . . . 0.0 110.144 -175.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.547 ' HB2' ' O ' ' A' ' 56' ' ' TYR . 39.1 ttmt 161.74 22.29 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.985 1.314 . . . . 0.0 109.408 177.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.2 mt -142.82 -38.45 0.35 Allowed 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 122.022 -0.424 . . . . 0.0 111.117 -172.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 66.15 88.72 0.1 Allowed 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.947 -173.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 . . . . . 0 C--N 1.323 -0.55 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.135 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.7 mtp . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.471 ' HB2' ' OD1' ' A' ' 7' ' ' ASP . 0.2 OUTLIER -71.28 154.2 41.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.91 0.386 . . . . 0.0 111.312 -174.264 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.606 ' HA ' ' NE ' ' A' ' 3' ' ' ARG . 3.1 mmp_? -137.2 26.29 2.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.724 174.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -79.95 -178.2 6.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.339 176.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -75.97 -38.4 57.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.497 0.665 . . . . 0.0 109.284 173.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 6' ' ' ARG . 23.1 ttt180 -69.09 -17.28 63.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.911 177.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.471 ' OD1' ' HB2' ' A' ' 2' ' ' LYS . 15.0 t70 -51.06 -59.98 3.59 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.7 0.762 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.462 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 49.7 ptt85 -71.5 -14.67 62.19 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.933 -174.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.526 HD21 ' OD1' ' A' ' 35' ' ' ASP . 57.9 mt -89.83 -49.12 6.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.534 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -66.72 -29.59 69.61 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.404 0.621 . . . . 0.0 109.726 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -84.54 -27.49 27.31 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.204 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 8' ' ' ARG . . . -64.73 -33.06 75.07 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.063 0.458 . . . . 0.0 109.766 168.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -63.01 -41.52 99.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.063 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -81.49 -39.14 25.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.826 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.443 ' NE2' ' HE1' ' A' ' 40' ' ' TRP . 0.7 OUTLIER -71.44 -25.66 62.4 Favored 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.327 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.95 -37.38 94.2 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 173.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.53 ' CD1' ' HB1' ' A' ' 47' ' ' ALA . 64.8 t80 -63.52 -45.93 88.36 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 174.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -60.4 -35.52 75.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.277 174.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.11 -36.75 72.28 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.207 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.08 -29.85 75.77 Favored Glycine 0 C--N 1.315 -0.587 0 C-N-CA 120.126 -1.035 . . . . 0.0 111.83 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.659 HD11 ' HB2' ' A' ' 47' ' ' ALA . 2.0 mp -80.19 -52.65 7.49 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.538 0.685 . . . . 0.0 110.616 177.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -100.69 -41.83 6.76 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.768 -1.105 . . . . 0.0 112.274 -168.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.57 -20.92 59.14 Favored Glycine 0 CA--C 1.501 -0.785 0 C-N-CA 120.041 -1.076 . . . . 0.0 110.842 -169.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 64.58 -58.61 0.24 Allowed 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 114.366 -0.917 . . . . 0.0 112.734 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.0 m -94.56 175.45 6.67 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.071 0.462 . . . . 0.0 112.13 -170.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.403 ' HA ' ' HH2' ' A' ' 40' ' ' TRP . 54.2 mt-30 -85.71 -16.34 39.3 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.679 177.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -57.09 -18.77 15.94 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.769 177.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.441 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -82.21 20.02 1.1 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.09 -176.206 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.8 t -107.59 92.84 9.11 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 111.284 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 43.1 Cg_endo -92.33 41.77 0.31 Allowed 'Trans proline' 0 CA--C 1.533 0.461 0 C-N-CA 123.194 2.596 . . . . 0.0 113.091 176.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -113.14 -86.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -175.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.513 ' HG3' ' H ' ' A' ' 33' ' ' GLN . 51.0 tp60 -152.41 -178.16 6.66 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -170.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.52 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 53.0 tt0 -99.57 -76.24 0.55 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 118.367 0.531 . . . . 0.0 112.39 175.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 67.5 t -57.0 -62.07 1.03 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.834 0 CA-C-O 121.554 0.692 . . . . 0.0 112.012 -170.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.526 ' OD1' HD21 ' A' ' 9' ' ' LEU . 1.1 p30 -68.86 -34.4 75.39 Favored 'General case' 0 CA--C 1.497 -1.077 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.801 -173.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 32' ' ' GLN . . . -70.21 -33.15 71.33 Favored 'General case' 0 N--CA 1.427 -1.614 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.327 -175.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.59 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 89.2 mtt-85 -58.36 -47.85 82.47 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 173.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.1 t -64.64 -31.49 72.74 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.258 -174.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -100.76 -55.4 2.59 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -177.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.443 ' HE1' ' NE2' ' A' ' 15' ' ' GLN . 70.3 t90 -66.21 -42.18 89.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.232 -173.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.59 ' HB2' ' O ' ' A' ' 37' ' ' ARG . 23.5 mt -71.82 -22.3 61.57 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.963 -177.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.21 -47.56 63.62 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.286 -0.959 . . . . 0.0 111.275 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.65 -33.42 63.56 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.82 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -63.55 -50.77 68.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.432 0.158 . . . . 0.0 110.592 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 45' ' ' ARG . 46.3 mtm180 -64.07 -36.87 85.43 Favored 'General case' 0 CA--C 1.521 -0.172 0 C-N-CA 121.216 -0.194 . . . . 0.0 111.044 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.36 -58.62 7.72 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.659 ' HB2' HD11 ' A' ' 21' ' ' LEU . . . -60.03 -48.66 80.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.795 -179.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.511 ' O ' ' HB2' ' A' ' 52' ' ' GLN . 24.2 tpt180 -63.65 -51.09 66.68 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.136 -173.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.48 ' HA ' ' HB3' ' A' ' 52' ' ' GLN . 27.1 t70 -75.34 -17.28 60.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.933 0.397 . . . . 0.0 111.45 -174.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -79.24 -28.65 42.45 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.657 ' HZ3' ' HB2' ' A' ' 51' ' ' LYS . 3.8 ttmp? -90.03 -18.52 25.8 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.184 -1.371 . . . . 0.0 108.244 176.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.511 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 6.7 tt0 -87.11 -75.39 0.4 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.479 -1.237 . . . . 0.0 112.036 -173.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.9 p -78.73 -23.46 45.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.142 -173.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.72 -14.95 80.37 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.385 -0.912 . . . . 0.0 111.348 177.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.3 mt 61.23 88.74 0.08 Allowed 'General case' 0 CA--C 1.522 -0.106 0 CA-C-O 121.275 0.559 . . . . 0.0 110.825 -177.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.551 ' CB ' ' HG3' ' A' ' 51' ' ' LYS . 66.5 t80 -57.78 -21.53 42.17 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.336 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 56' ' ' TYR . 24.6 tptm 73.8 79.42 0.13 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.685 0.755 . . . . 0.0 109.289 -175.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.402 HD13 ' N ' ' A' ' 58' ' ' LEU . 4.6 mp -94.74 159.93 14.84 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.269 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -162.09 101.89 1.12 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.26 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 53.3 m-70 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.904 178.419 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.4 ttp . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 120.669 0.271 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.16 154.63 37.19 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 175.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.6 mtp-105 -100.02 -62.93 1.18 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.118 0.485 . . . . 0.0 110.358 176.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.535 ' HB2' ' HB2' ' A' ' 7' ' ' ASP . 4.0 pt20 -85.47 82.86 8.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.818 -173.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -96.96 -48.38 5.44 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.509 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.453 ' HA ' HD13 ' A' ' 9' ' ' LEU . 24.9 ttm-85 -92.26 -15.64 27.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.032 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.535 ' HB2' ' HB2' ' A' ' 4' ' ' GLN . 3.0 m-20 -55.18 -46.89 75.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.681 178.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -81.38 -6.33 58.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.99 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 6' ' ' ARG . 71.0 mt -87.36 -39.7 15.07 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 175.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -64.41 -30.59 71.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.823 0.82 . . . . 0.0 109.036 171.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -39.76 58.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.591 -1.186 . . . . 0.0 108.992 177.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.529 ' HB2' ' HB2' ' A' ' 40' ' ' TRP . . . -63.68 -25.41 68.2 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.666 176.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -64.13 -49.19 73.14 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.0 m -67.2 -38.05 84.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.25 0.548 . . . . 0.0 110.367 177.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.474 ' HG2' ' HE2' ' A' ' 31' ' ' TYR . 7.1 tp60 -65.09 -39.24 92.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.607 178.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.83 -37.83 88.78 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.971 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -58.07 -48.18 80.92 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 174.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -62.48 -34.74 77.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.517 176.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.04 -23.59 63.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.132 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.4 -33.75 64.12 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.171 -1.014 . . . . 0.0 111.423 174.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.446 HD13 ' HD2' ' A' ' 51' ' ' LYS . 4.0 mm? -81.79 -60.92 2.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.556 0.693 . . . . 0.0 110.184 176.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -100.27 -30.99 11.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.73 -1.123 . . . . 0.0 112.819 -170.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.71 -20.45 78.61 Favored Glycine 0 C--O 1.235 0.191 0 C-N-CA 120.322 -0.942 . . . . 0.0 112.252 -170.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 69.03 -55.48 0.55 Allowed 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.435 0.694 . . . . 0.0 112.756 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.4 m -128.76 173.69 10.12 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -172.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.428 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 6.4 mt-30 -79.91 -15.7 56.79 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.933 178.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -59.01 -19.23 41.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.737 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.561 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -85.4 27.38 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.143 -176.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.5 t -105.26 94.41 8.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.004 0.431 . . . . 0.0 110.863 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.561 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 40.6 Cg_endo -95.8 17.55 0.74 Allowed 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.241 2.628 . . . . 0.0 114.493 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.474 ' HE2' ' HG2' ' A' ' 15' ' ' GLN . 71.2 m-85 -99.4 -85.81 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.053 0.454 . . . . 0.0 112.223 -174.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.511 ' HG2' ' HB2' ' A' ' 35' ' ' ASP . 49.8 tp60 -124.89 177.76 5.85 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -176.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.439 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 89.5 mt-30 -101.13 -76.23 0.57 Allowed 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.874 177.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 67.6 t -70.68 -50.38 44.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.31 0.576 . . . . 0.0 110.734 -175.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.511 ' HB2' ' HG2' ' A' ' 32' ' ' GLN . 1.5 m-20 -61.02 -45.06 96.32 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.487 -178.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.492 ' HB1' ' HB3' ' A' ' 32' ' ' GLN . . . -65.74 -31.56 72.62 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 114.671 -1.15 . . . . 0.0 111.119 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -60.16 -50.89 71.88 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.857 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.0 p -67.2 -27.48 67.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.229 -174.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -99.98 -63.93 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.529 ' HB2' ' HB2' ' A' ' 12' ' ' ALA . 83.3 t90 -61.22 -49.17 78.23 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.042 -177.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 tt -79.56 -22.69 43.48 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 -175.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.59 -43.83 97.43 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.816 -0.706 . . . . 0.0 111.372 173.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.71 -36.29 61.97 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.683 175.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 85.9 t90 -58.63 -51.29 70.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.168 0.508 . . . . 0.0 110.23 176.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 45' ' ' ARG . 1.3 mmm180 -61.91 -34.55 76.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.151 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.74 -56.44 10.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.091 0.472 . . . . 0.0 110.447 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.12 -42.5 99.55 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.585 -177.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -61.49 -45.28 94.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.99 0.424 . . . . 0.0 110.35 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.586 ' HA ' ' HB3' ' A' ' 52' ' ' GLN . 33.8 t70 -74.28 -14.4 60.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.38 0.61 . . . . 0.0 110.768 -179.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -77.96 -34.04 51.21 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.446 ' HD2' HD13 ' A' ' 21' ' ' LEU . 22.8 mtpp -87.41 -16.38 35.06 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 176.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.586 ' HB3' ' HA ' ' A' ' 49' ' ' ASP . 27.0 tt0 -79.51 -20.62 46.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 113.964 -1.471 . . . . 0.0 109.728 177.252 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.9 m -85.67 6.76 26.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.905 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -57.75 -28.76 60.64 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 121.192 -0.528 . . . . 0.0 111.975 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 71.1 mt -100.04 61.41 1.1 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 173.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -74.64 -2.85 27.95 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.759 -176.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -165.29 -56.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.401 -175.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.35 163.39 20.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.174 0.511 . . . . 0.0 111.849 -175.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -112.88 -157.4 0.62 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.522 -176.41 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.441 ' HB2' ' O ' ' A' ' 59' ' ' GLU . 54.9 m170 . . . . . 0 N--CA 1.474 0.768 0 C-N-CA 124.198 0.999 . . . . 0.0 110.787 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 120.802 0.334 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -103.31 -36.06 8.19 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -169.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -70.15 -25.53 63.5 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.986 0.422 . . . . 0.0 111.508 -173.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -68.4 -35.73 78.08 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.247 -173.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -74.79 -26.11 59.52 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.92 -174.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.494 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 51.5 ttm-85 -71.54 -44.44 64.59 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -49.05 -53.27 20.98 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.804 0.811 . . . . 0.0 110.462 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -59.67 -33.36 71.46 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.526 -177.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.44 ' CD1' ' HB3' ' A' ' 35' ' ' ASP . 53.5 mt -85.91 -32.24 21.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.745 -177.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 6' ' ' ARG . 22.1 mm-40 -59.73 -31.61 69.78 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.433 0.635 . . . . 0.0 109.773 174.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 11' ' ' ARG . 13.2 mtp180 -88.44 -32.8 18.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.163 178.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.14 -30.32 68.06 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.477 175.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -66.58 -51.43 56.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.386 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.7 m -65.44 -35.09 79.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.368 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -62.9 -45.95 90.1 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.948 176.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.92 -34.29 89.54 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.128 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.49 ' HE1' ' OD2' ' A' ' 46' ' ' ASP . 8.1 t80 -62.45 -49.34 75.8 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -64.7 -32.07 73.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.22 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.74 -14.65 62.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.808 176.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.01 -33.81 56.66 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.572 174.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -91.44 -43.2 9.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.47 0.653 . . . . 0.0 110.214 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -100.36 -38.12 8.58 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.388 -0.824 . . . . 0.0 112.87 -173.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.25 -17.83 79.71 Favored Glycine 0 CA--C 1.511 -0.209 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.235 -171.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 69.11 -63.77 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 123.688 0.795 . . . . 0.0 112.642 177.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.7 m -111.82 169.35 8.89 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.002 0.43 . . . . 0.0 111.718 -171.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.463 ' OE1' HD23 ' A' ' 41' ' ' LEU . 25.4 mt-30 -86.5 -6.55 58.87 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.736 0.779 . . . . 0.0 109.076 177.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.76 12.54 1.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.541 -1.209 . . . . 0.0 110.093 -179.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.638 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -117.33 27.88 8.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.723 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 44.1 t -102.89 90.71 2.47 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.812 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.638 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 49.3 Cg_endo -92.94 3.08 3.53 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.967 2.445 . . . . 0.0 114.527 -175.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -77.5 -68.65 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -173.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.534 HE21 ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -146.41 -171.92 3.84 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -174.341 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.488 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 45.3 mt-30 -100.98 -76.92 0.55 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.186 0.517 . . . . 0.0 111.7 175.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.9 t -74.24 -47.94 38.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.826 -173.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.459 ' O ' ' HD1' ' A' ' 39' ' ' TYR . 10.9 m-20 -64.72 -44.33 90.53 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.572 -178.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.91 -32.36 73.82 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.228 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' A' ' 37' ' ' ARG . 37.2 ttt180 -59.62 -51.34 70.22 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.755 0.312 . . . . 0.0 110.163 176.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 t -68.32 -30.63 69.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.5 -172.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.459 ' HD1' ' O ' ' A' ' 35' ' ' ASP . 65.9 m-85 -92.44 -68.77 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.18 0.514 . . . . 0.0 111.75 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 59.5 t90 -63.92 -48.73 75.4 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.04 -174.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.463 HD23 ' OE1' ' A' ' 26' ' ' GLN . 5.1 tt -78.59 -33.74 47.31 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -172.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.86 -43.55 99.14 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 173.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.93 -37.81 93.61 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.808 175.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -57.64 -53.52 57.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.701 0.286 . . . . 0.0 110.522 177.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -64.92 -36.71 85.24 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.062 -178.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.49 ' OD2' ' HE1' ' A' ' 17' ' ' TYR . 35.3 t70 -62.35 -50.34 71.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.973 0.416 . . . . 0.0 110.008 179.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.41 96.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.043 178.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 48' ' ' ARG . 9.4 tpt180 -58.75 -47.09 85.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.157 178.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.565 ' HA ' ' HB3' ' A' ' 52' ' ' GLN . 31.1 t70 -76.63 -11.47 59.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.481 0.658 . . . . 0.0 110.963 -177.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -84.39 -25.37 29.12 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -95.81 -15.96 22.18 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 176.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.565 ' HB3' ' HA ' ' A' ' 49' ' ' ASP . 23.8 tp60 -88.59 -55.04 3.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.232 -1.349 . . . . 0.0 111.441 -176.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.6 m -82.31 1.31 37.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.347 -177.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -74.79 4.59 36.23 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 121.125 -0.559 . . . . 0.0 112.361 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 60.5 mt -97.24 3.59 51.31 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.519 0.199 . . . . 0.0 111.077 -178.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 72.0 t80 63.07 17.69 10.33 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.379 0.609 . . . . 0.0 111.325 174.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -76.25 -4.03 39.75 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.975 -0.453 . . . . 0.0 112.211 -174.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.2 mt -94.56 -51.09 4.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.429 -0.169 . . . . 0.0 111.331 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 58.36 -160.86 0.25 Allowed 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.48 0.487 . . . . 0.0 110.987 -175.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 71.1 m80 . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 120.629 0.252 . . . . 0.0 110.862 -178.931 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 121.033 0.444 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.516 ' HE2' ' OD1' ' A' ' 7' ' ' ASP . 59.2 tttt -151.17 -72.64 0.16 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.69 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 69.07 -65.84 0.28 Allowed 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.4 1.08 . . . . 0.0 111.48 178.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.494 ' HA ' ' OD1' ' A' ' 7' ' ' ASP . 32.3 tt0 -163.04 14.29 0.07 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.322 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -63.91 -68.9 0.31 Allowed 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 121.038 0.447 . . . . 0.0 111.324 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -64.82 -22.97 67.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.741 -176.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.516 ' OD1' ' HE2' ' A' ' 2' ' ' LYS . 4.6 m-20 -58.84 -63.72 1.2 Allowed 'General case' 0 C--O 1.24 0.581 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.638 178.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 4' ' ' GLN . 5.8 ptp85 -66.93 -28.71 68.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.737 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.54 HD12 ' HB3' ' A' ' 35' ' ' ASP . 68.2 mt -71.53 -37.71 71.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.415 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -60.07 -39.77 87.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.309 0.575 . . . . 0.0 109.556 175.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -75.33 -39.56 59.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.346 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.417 ' HB2' ' HB2' ' A' ' 40' ' ' TRP . . . -59.67 -28.92 67.69 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.827 176.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -71.57 -45.72 61.45 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.072 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.9 m -70.26 -39.52 74.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.409 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -43.16 74.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.776 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.21 -37.47 93.0 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.013 177.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.403 ' OH ' ' HG2' ' A' ' 50' ' ' GLU . 27.3 t80 -55.88 -54.37 45.49 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 174.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -67.48 -30.28 69.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.378 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.54 -16.36 64.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.93 0.395 . . . . 0.0 111.012 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.92 -34.14 71.01 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.196 -1.002 . . . . 0.0 111.539 171.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -92.46 -41.85 10.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.501 0.667 . . . . 0.0 110.118 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -95.29 -41.82 8.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.479 -173.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.38 -26.79 60.76 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.288 -0.958 . . . . 0.0 111.365 -175.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.2 ttp85 67.43 -55.07 0.47 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.85 0.86 . . . . 0.0 112.472 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.9 m -103.71 -177.86 3.49 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.741 0.305 . . . . 0.0 111.076 -177.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -97.21 -16.42 20.4 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 122.018 0.913 . . . . 0.0 108.619 -177.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.75 0.41 5.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.093 -1.412 . . . . 0.0 111.166 179.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.567 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -91.33 21.91 4.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.542 176.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.8 t -104.67 92.33 4.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.719 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.567 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 62.0 Cg_endo -92.77 8.4 2.73 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 123.163 2.576 . . . . 0.0 113.383 178.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -82.78 -70.72 0.53 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -174.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.522 ' HG2' ' HB2' ' A' ' 35' ' ' ASP . 48.1 tp60 -153.09 179.96 8.24 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -172.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.408 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 54.5 tp60 -100.59 -75.84 0.57 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.848 174.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.9 t -72.26 -47.49 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.213 0.53 . . . . 0.0 110.84 -172.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.54 ' HB3' HD12 ' A' ' 9' ' ' LEU . 2.0 m-20 -60.94 -48.22 82.81 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.844 0.83 . . . . 0.0 109.562 178.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.453 ' HB1' ' HB3' ' A' ' 32' ' ' GLN . . . -66.93 -32.86 74.39 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.046 -178.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -55.76 -47.97 76.08 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.1 t -61.8 -44.76 96.23 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.391 -175.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -94.66 -56.16 2.88 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -175.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.417 ' HB2' ' HB2' ' A' ' 12' ' ' ALA . 66.4 t90 -65.49 -46.88 77.98 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.695 -176.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.54 -26.04 50.69 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -177.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.43 -51.16 58.27 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.432 174.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.99 -31.32 77.7 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 121.128 -0.558 . . . . 0.0 111.824 176.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.543 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 29.5 t90 -59.4 -48.5 81.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.036 0.446 . . . . 0.0 109.876 176.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 45' ' ' ARG . 11.5 mmm-85 -70.22 -36.65 74.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.027 177.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -57.81 -48.16 80.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.33 0.586 . . . . 0.0 110.01 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.41 -40.86 97.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.249 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' ' 44' ' ' TRP . 41.0 mtp180 -64.46 -35.27 80.38 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.088 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.68 -19.63 55.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.501 0.667 . . . . 0.0 110.167 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.403 ' HG2' ' OH ' ' A' ' 17' ' ' TYR . 9.9 tp10 -84.88 -28.19 26.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.079 -0.964 . . . . 0.0 108.733 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -86.29 -19.33 30.03 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 175.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.543 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 32.2 tp60 -72.28 -62.6 1.38 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.06 -1.427 . . . . 0.0 109.851 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.6 t -81.29 -3.65 53.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.25 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.53 -23.75 64.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.598 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 33.4 tp -83.39 -78.74 0.21 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.96 0.409 . . . . 0.0 110.367 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -172.01 43.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.838 0.827 . . . . 0.0 109.114 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 52' ' ' GLN . 0.7 OUTLIER -86.37 -10.73 53.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.856 178.324 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.403 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 57.3 tp 71.98 -83.86 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.815 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -149.12 -173.82 4.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.948 -177.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 . . . . . 0 C--N 1.326 -0.43 0 CA-C-O 121.277 0.561 . . . . 0.0 110.129 174.547 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.582 0.23 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -72.51 147.41 46.04 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 177.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 59.37 61.07 2.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.716 0.769 . . . . 0.0 109.729 -170.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.441 ' O ' ' HB3' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -81.52 28.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.326 -174.893 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -61.97 -41.29 97.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.785 176.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 6' ' ' ARG . 6.1 tpt180 -63.88 -27.0 68.86 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.781 -177.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.441 ' HB3' ' O ' ' A' ' 4' ' ' GLN . 7.6 t70 -55.15 -60.4 3.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.407 0.622 . . . . 0.0 110.66 177.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -77.74 -20.81 52.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.439 -174.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.511 HD12 ' HB3' ' A' ' 35' ' ' ASP . 23.9 mt -82.16 -46.28 14.01 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -66.14 -31.04 71.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.835 0.826 . . . . 0.0 109.28 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -77.63 -34.89 53.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.82 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.39 -28.94 69.62 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.238 173.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.13 -45.17 74.33 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.9 t -66.56 -44.93 80.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.189 175.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -59.65 -42.91 93.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.789 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.446 ' O ' ' HA ' ' A' ' 44' ' ' TRP . . . -62.76 -42.54 99.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.269 -0.491 . . . . 0.0 112.09 178.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -58.08 -50.41 73.55 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -62.79 -35.01 78.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.543 176.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.15 -20.91 66.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.072 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.03 -41.81 92.78 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.319 -0.943 . . . . 0.0 111.571 173.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -84.74 -48.31 9.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.93 0.395 . . . . 0.0 110.457 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.84 -39.13 8.35 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -173.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.26 -25.46 75.47 Favored Glycine 0 CA--C 1.512 -0.139 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.876 -171.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 ttp85 68.88 -65.68 0.28 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.58 0.752 . . . . 0.0 112.411 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.0 m -104.46 171.19 7.47 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.065 0.46 . . . . 0.0 111.724 -174.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.466 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 10.4 mt-30 -91.08 -11.68 37.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.498 0.666 . . . . 0.0 110.072 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -67.86 -8.88 40.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.211 176.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.663 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -88.86 23.61 2.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.398 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.9 t -100.15 94.75 3.47 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-O 120.952 0.406 . . . . 0.0 110.548 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.663 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 38.0 Cg_endo -94.47 34.39 0.18 Allowed 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 123.472 2.781 . . . . 0.0 113.57 -178.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -111.12 -81.26 0.58 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -175.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.455 ' CG ' ' H ' ' A' ' 33' ' ' GLN . 27.7 tt0 -150.77 -172.73 4.27 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -172.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.455 ' H ' ' CG ' ' A' ' 32' ' ' GLN . 14.4 mt-30 -100.53 -77.41 0.54 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 118.302 0.501 . . . . 0.0 112.134 -179.116 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.0 t -67.41 -54.66 21.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 121.339 0.59 . . . . 0.0 111.066 -173.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.511 ' HB3' HD12 ' A' ' 9' ' ' LEU . 3.1 m-20 -60.88 -48.56 81.26 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.07 -176.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.23 -30.45 71.5 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.25 -1.341 . . . . 0.0 111.488 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -59.7 -53.88 52.84 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.2 m -70.34 -25.26 63.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.432 -174.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -96.33 -58.3 2.1 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.466 ' CH2' ' HA ' ' A' ' 26' ' ' GLN . 67.6 t90 -71.25 -51.67 23.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.833 -175.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 tt -71.43 -34.42 70.27 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -175.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.94 -51.34 59.78 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.683 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.67 -33.22 80.12 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.999 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.446 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 90.8 t90 -58.26 -55.81 30.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.035 0.445 . . . . 0.0 110.647 177.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.7 ttt-85 -72.23 -31.12 65.55 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.082 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -55.52 -57.2 12.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.538 178.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.89 -49.84 75.36 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.161 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -58.74 -59.98 4.56 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.266 -177.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.25 -25.53 68.37 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.325 0.391 . . . . 0.0 111.86 -172.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -83.31 -29.5 28.27 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.287 0.565 . . . . 0.0 109.851 -172.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -99.63 -5.1 29.56 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.933 0.873 . . . . 0.0 108.654 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? -83.95 -41.02 17.79 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.085 -1.416 . . . . 0.0 110.136 176.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.644 ' HA ' ' HB2' ' A' ' 56' ' ' TYR . 29.5 p -100.17 5.41 44.79 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.198 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.59 -40.78 63.52 Favored Glycine 0 C--N 1.334 0.443 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.248 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.8 tp -119.11 -59.0 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 172.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.644 ' HB2' ' HA ' ' A' ' 53' ' ' SER . 75.6 t80 66.36 -5.46 0.59 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.55 171.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 56' ' ' TYR . 67.6 mttm 67.02 24.78 9.42 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -169.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 tt -69.55 -60.08 2.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.706 -175.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -70.92 152.47 43.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.463 -174.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 15.1 p80 . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.299 -175.287 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.624 0.249 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -81.04 85.69 6.25 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.214 0.53 . . . . 0.0 110.311 -175.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -116.64 6.51 13.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.904 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 65.16 11.94 7.59 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.624 178.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -81.21 -34.78 32.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.5 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -64.83 -35.61 81.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -54.24 -54.73 35.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.177 0.513 . . . . 0.0 110.619 178.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.45 ' NH2' ' HB2' ' A' ' 32' ' ' GLN . 8.0 ptt-85 -70.29 -23.22 62.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.554 -177.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.1 mt -78.23 -46.46 20.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.932 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -70.0 -23.8 63.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.326 0.584 . . . . 0.0 109.651 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -80.28 -30.41 38.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.493 174.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.95 -26.1 68.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.953 172.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -65.39 -38.74 90.9 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 177.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.3 t -75.52 -37.39 60.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.845 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -59.53 -44.58 93.16 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.863 176.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.55 -34.61 89.57 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.294 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.452 ' CD2' ' HB2' ' A' ' 47' ' ' ALA . 36.3 t80 -60.28 -43.75 95.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.124 0.488 . . . . 0.0 109.94 176.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -73.64 -29.14 62.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.404 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.46 -18.22 59.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.689 -177.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.0 -23.67 77.65 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 120.347 -0.93 . . . . 0.0 111.408 174.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.59 -49.91 4.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.648 0.737 . . . . 0.0 109.765 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -99.66 -33.31 10.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.588 -173.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.75 -9.35 84.96 Favored Glycine 0 CA--C 1.506 -0.49 0 C-N-CA 120.433 -0.889 . . . . 0.0 111.049 -175.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 24' ' ' ARG . 37.4 ttp180 66.05 -69.85 0.11 Allowed 'General case' 0 CA--C 1.536 0.428 0 O-C-N 124.579 0.811 . . . . 0.0 112.681 178.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.452 ' HB3' ' OE1' ' A' ' 27' ' ' GLU . 14.9 m -111.43 -173.35 2.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.258 -171.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.427 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 13.6 mt-30 -97.4 -17.51 19.65 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 122.443 1.116 . . . . 0.0 108.077 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' OE1' ' HB3' ' A' ' 25' ' ' SER . 19.6 mp0 -64.74 -12.97 52.93 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 113.191 -1.822 . . . . 0.0 111.002 178.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.626 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -86.08 12.48 9.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.516 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.4 t -82.32 103.27 2.17 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.846 0.355 . . . . 0.0 110.563 178.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.626 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 74.8 Cg_endo -78.13 -24.6 8.0 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.789 2.326 . . . . 0.0 113.825 -175.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -96.86 135.07 39.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 119.076 -0.487 . . . . 0.0 111.322 -172.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.62 ' HB3' ' HB1' ' A' ' 36' ' ' ALA . 28.3 tt0 46.89 177.49 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.234 0 O-C-N 125.041 1.463 . . . . 0.0 114.945 159.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.448 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 7.1 tp-100 -104.87 -78.52 0.57 Allowed 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 121.143 -0.973 . . . . 0.0 112.684 175.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.2 t -74.75 -50.99 23.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.972 0.415 . . . . 0.0 111.548 -167.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.401 ' O ' ' HD2' ' A' ' 39' ' ' TYR . 3.6 m-20 -67.08 -35.7 80.39 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.609 0.719 . . . . 0.0 109.08 -175.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.62 ' HB1' ' HB3' ' A' ' 32' ' ' GLN . . . -59.52 -52.91 63.56 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.718 -1.128 . . . . 0.0 111.125 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 33' ' ' GLN . 13.9 mtp85 -61.64 -31.52 71.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.132 -177.141 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.6 m -67.64 -32.49 73.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.204 0.526 . . . . 0.0 110.397 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.401 ' HD2' ' O ' ' A' ' 35' ' ' ASP . 70.4 m-85 -96.81 -62.18 1.3 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.809 179.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.427 ' CH2' ' HA ' ' A' ' 26' ' ' GLN . 79.4 t90 -61.47 -46.25 90.82 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.291 -175.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.45 -19.69 45.51 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -175.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.76 -48.62 75.16 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.34 -33.58 64.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.792 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 54.8 t90 -57.55 -52.51 65.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.189 0.518 . . . . 0.0 110.334 177.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -64.25 -38.05 89.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.517 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -62.86 -57.52 10.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.814 0.34 . . . . 0.0 110.77 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.452 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . . . -55.82 -43.51 77.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.796 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.505 ' O ' ' HB2' ' A' ' 52' ' ' GLN . 5.3 tpt180 -64.69 -60.19 3.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.747 -177.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -64.88 -20.95 66.7 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -170.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -90.85 -35.53 14.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.233 0.539 . . . . 0.0 109.759 -173.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -90.1 -8.42 51.42 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.505 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 16.5 tm0? -96.14 -63.67 1.13 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.162 -1.381 . . . . 0.0 110.208 178.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.6 m -89.94 5.68 45.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.59 -174.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.12 -25.55 66.47 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.053 176.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.6 pp -113.02 19.66 17.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.854 0.359 . . . . 0.0 111.041 177.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -75.1 54.56 0.69 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.641 0.734 . . . . 0.0 109.699 177.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -169.97 -37.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.14 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.461 ' HG ' ' N ' ' A' ' 59' ' ' GLU . 58.7 tp -162.44 170.3 18.97 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.461 ' N ' ' HG ' ' A' ' 58' ' ' LEU . 33.3 tt0 -61.05 -36.92 80.87 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 123.405 0.441 . . . . 0.0 111.372 -177.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 48.8 m170 . . . . . 0 C--N 1.322 -0.615 0 CA-C-O 121.094 0.473 . . . . 0.0 111.384 -175.256 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.1 mtt . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.892 0.377 . . . . 0.0 111.364 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -145.13 159.41 43.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.851 176.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 70.83 89.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.84 0.713 . . . . 0.0 111.834 177.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.434 ' HB2' ' HB3' ' A' ' 7' ' ' ASP . 0.3 OUTLIER -129.38 104.02 7.25 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 170.347 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -74.27 -31.2 62.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.715 0.293 . . . . 0.0 111.452 -173.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -83.86 -36.16 23.64 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -177.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.434 ' HB3' ' HB2' ' A' ' 4' ' ' GLN . 20.4 t70 -59.11 -46.59 87.92 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 121.653 0.74 . . . . 0.0 109.436 173.091 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -51.01 -42.78 60.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.155 -1.384 . . . . 0.0 111.258 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.7 mt -81.32 -41.16 22.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.804 -178.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.21 -25.55 64.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.059 0.457 . . . . 0.0 110.446 -178.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -83.35 -28.22 29.14 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 176.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.49 -27.02 68.99 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.171 171.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -69.93 -41.39 74.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.044 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.0 m -71.14 -40.11 71.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.212 175.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.43 -48.31 73.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.637 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.457 ' HA2' ' HB3' ' A' ' 19' ' ' ALA . . . -57.55 -32.6 65.06 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.115 178.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.424 ' CD1' ' HB1' ' A' ' 47' ' ' ALA . 34.7 t80 -59.97 -53.51 56.95 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 176.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -70.34 -20.79 62.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.066 0.46 . . . . 0.0 110.365 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.457 ' HB3' ' HA2' ' A' ' 16' ' ' GLY . . . -80.68 -18.98 46.25 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.178 0.513 . . . . 0.0 110.725 -177.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.0 -24.27 74.26 Favored Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.17 -1.014 . . . . 0.0 110.907 172.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.826 HD23 ' HB2' ' A' ' 47' ' ' ALA . 0.8 OUTLIER -93.87 -53.77 3.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.599 0.714 . . . . 0.0 109.404 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -101.01 -31.9 10.88 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.617 -173.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.49 -11.09 71.79 Favored Glycine 0 CA--C 1.505 -0.587 0 C-N-CA 120.043 -1.075 . . . . 0.0 110.853 -176.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 61.58 -72.73 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 114.6 -0.8 . . . . 0.0 112.23 -178.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.7 m -105.56 175.37 5.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.282 0.563 . . . . 0.0 112.014 -173.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -81.2 -13.26 58.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.21 177.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.54 -16.61 56.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.735 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.531 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -85.51 25.23 1.07 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.741 -177.324 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.9 t -108.4 85.99 3.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 0.0 110.546 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.531 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 34.7 Cg_endo -94.35 31.51 0.22 Allowed 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.289 2.66 . . . . 0.0 113.683 -177.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -107.01 -71.67 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.377 -0.529 . . . . 0.0 112.108 -174.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.512 ' HB3' ' HB1' ' A' ' 36' ' ' ALA . 32.2 tt0 -149.35 177.56 9.57 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -172.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.489 ' O ' ' HB2' ' A' ' 37' ' ' ARG . 15.9 mm100 -101.26 -76.85 0.56 Allowed 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.143 -0.623 . . . . 0.0 112.464 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.2 t -66.13 -55.15 20.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 CA-C-O 121.438 0.637 . . . . 0.0 111.421 -173.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.79 -35.51 77.11 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.836 -175.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.512 ' HB1' ' HB3' ' A' ' 32' ' ' GLN . . . -68.91 -38.29 79.48 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.637 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.489 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 9.8 ttt180 -57.86 -41.43 82.41 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.2 m -67.94 -44.87 75.79 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.646 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -81.16 -55.3 4.84 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -176.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -69.54 -47.31 64.13 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.458 -172.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.498 ' O ' ' HG3' ' A' ' 45' ' ' ARG . 0.5 OUTLIER -74.32 -25.16 59.39 Favored 'General case' 0 N--CA 1.461 0.09 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.54 -174.587 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.53 -51.41 56.34 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.692 177.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.43 -30.0 69.47 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.882 177.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -59.43 -49.15 78.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.863 0.363 . . . . 0.0 110.64 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.498 ' HG3' ' O ' ' A' ' 41' ' ' LEU . 16.7 mtm180 -66.17 -45.42 80.96 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.498 179.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -56.59 -56.71 17.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.987 -177.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.826 ' HB2' HD23 ' A' ' 21' ' ' LEU . . . -57.59 -45.14 85.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.309 -178.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -49.3 78.21 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 178.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -66.84 -20.02 65.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.7 -175.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -95.48 -23.94 16.88 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.596 0.712 . . . . 0.0 109.789 -176.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -81.64 -23.23 37.08 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 174.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -88.76 -41.4 12.56 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 113.656 -1.611 . . . . 0.0 111.517 -175.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.0 m -98.6 -0.73 42.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.794 0.33 . . . . 0.0 110.871 -178.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.21 -17.99 66.63 Favored Glycine 0 C--N 1.333 0.387 0 CA-C-N 116.043 -0.526 . . . . 0.0 113.822 -173.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.7 -44.4 81.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 178.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 65.1 t80 44.46 76.01 0.09 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.13 -0.941 . . . . 0.0 112.076 -177.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -121.02 24.48 10.14 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.96 174.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.07 -70.23 0.25 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 50.27 94.04 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 177.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 64.8 t60 . . . . . 0 C--N 1.319 -0.719 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 174.09 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -171.42 -81.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.095 0.247 . . . . 0.0 110.392 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 3' ' ' ARG . 30.4 mtt180 -116.93 10.91 14.21 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -63.47 -29.26 70.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.157 0.503 . . . . 0.0 110.428 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -66.25 -19.79 65.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.476 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -93.52 -41.41 9.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.974 175.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -55.93 -42.5 76.22 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.413 -179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -58.66 -26.97 64.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.685 178.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.546 HD11 ' HB3' ' A' ' 35' ' ' ASP . 78.2 mt -94.52 -26.42 16.44 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.213 -177.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -66.05 -35.43 80.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.793 0.806 . . . . 0.0 108.875 173.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -82.64 -33.46 27.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.689 178.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.37 -34.06 76.89 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 120.995 0.426 . . . . 0.0 110.242 173.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -64.22 -47.21 80.58 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.488 0.661 . . . . 0.0 109.705 178.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.3 m -71.24 -42.02 69.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.34 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -63.12 -41.92 99.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.553 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.22 -40.6 97.54 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.284 -0.484 . . . . 0.0 112.026 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -61.34 -50.85 71.25 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 177.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -63.31 -36.35 83.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.319 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.03 -23.32 65.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.95 0.405 . . . . 0.0 111.014 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.33 -42.3 99.23 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.602 -0.808 . . . . 0.0 111.349 174.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.1 -55.96 3.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.488 0.661 . . . . 0.0 110.485 178.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.24 -33.61 14.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.493 -170.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.46 -17.05 79.67 Favored Glycine 0 CA--C 1.512 -0.111 0 C-N-CA 120.224 -0.989 . . . . 0.0 112.391 -172.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 66.34 -73.95 0.07 Allowed 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 123.506 0.722 . . . . 0.0 112.087 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.0 m -99.85 169.36 9.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.295 0.569 . . . . 0.0 111.928 -172.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.474 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 12.5 mt-30 -79.91 -6.95 58.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.827 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -63.18 -19.15 64.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.184 175.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.31 26.88 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.705 -176.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 40.7 t -112.51 81.69 4.29 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-O 121.007 0.432 . . . . 0.0 110.799 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -92.6 36.8 0.23 Allowed 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 123.336 2.69 . . . . 0.0 113.716 -178.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -112.76 -59.16 2.05 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -173.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.511 ' HB3' ' HB1' ' A' ' 36' ' ' ALA . 6.8 tp60 -160.49 177.4 10.58 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -174.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.454 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 15.9 mm100 -98.16 -77.15 0.51 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 118.443 0.565 . . . . 0.0 112.108 178.225 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.6 t -73.2 -48.85 41.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.022 0.439 . . . . 0.0 110.632 -172.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.546 ' HB3' HD11 ' A' ' 9' ' ' LEU . 2.8 m-20 -58.42 -54.35 47.98 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 122.24 1.019 . . . . 0.0 108.862 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.511 ' HB1' ' HB3' ' A' ' 32' ' ' GLN . . . -56.74 -55.48 33.62 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.363 -176.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.619 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 99.3 mtt180 -61.19 -25.53 67.1 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -174.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.7 m -71.17 -35.68 71.72 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.349 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -94.16 -53.14 4.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.079 0.466 . . . . 0.0 111.921 176.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.474 ' CH2' ' HA ' ' A' ' 26' ' ' GLN . 66.0 t90 -60.33 -47.05 87.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.639 -174.015 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.619 ' HB2' ' O ' ' A' ' 37' ' ' ARG . 2.2 mt -71.92 -16.19 62.11 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.75 0.31 . . . . 0.0 110.915 -177.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.19 -52.26 33.16 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 175.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.99 -36.03 92.59 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.392 176.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -58.12 -49.6 76.41 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.08 0.466 . . . . 0.0 110.26 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.4 mtm180 -65.95 -38.02 87.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.592 177.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -62.3 -48.18 81.02 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.648 -177.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.96 -49.49 76.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.069 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -56.68 -51.18 69.75 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.708 179.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.568 ' HA ' ' HB2' ' A' ' 52' ' ' GLN . 31.1 t70 -71.74 -13.34 61.69 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -175.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -84.81 -34.98 22.63 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -177.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -85.44 -18.99 32.0 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.568 ' HB2' ' HA ' ' A' ' 49' ' ' ASP . 23.9 mm-40 -76.97 -48.24 18.59 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 113.714 -1.585 . . . . 0.0 110.643 175.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.4 m -71.8 -18.59 62.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.519 177.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.541 ' O ' ' HG ' ' A' ' 58' ' ' LEU . . . -88.52 2.91 85.13 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.177 176.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.8 tp 72.9 -59.06 0.58 Allowed 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 123.881 0.872 . . . . 0.0 111.199 174.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -146.21 -51.96 0.24 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.408 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -172.19 82.84 0.06 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.791 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 54' ' ' GLY . 79.4 mt -84.96 165.03 17.94 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.557 171.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -129.4 85.73 2.34 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.479 0.657 . . . . 0.0 111.249 -174.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.924 -179.219 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.8 mtp . . . . . 0 N--CA 1.483 1.222 0 CA-C-O 120.555 0.217 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -69.49 -23.62 63.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.007 0.432 . . . . 0.0 110.199 177.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -61.32 -24.78 66.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.186 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -75.32 -8.25 56.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.188 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 8' ' ' ARG . 95.2 mttt -62.96 -35.63 80.78 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 171.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -58.48 -32.12 68.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.97 -177.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -60.46 -57.43 12.78 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 121.554 0.692 . . . . 0.0 110.699 175.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -73.89 -17.75 61.0 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.709 -173.323 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.547 HD11 ' HB3' ' A' ' 35' ' ' ASP . 86.6 mt -86.13 -34.64 20.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.036 176.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -63.38 -38.22 90.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.864 0.84 . . . . 0.0 108.752 174.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 11' ' ' ARG . 47.3 mtm180 -76.3 -34.78 59.06 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.682 -1.145 . . . . 0.0 109.378 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.42 -30.85 71.88 Favored 'General case' 0 CA--C 1.518 -0.275 0 O-C-N 123.743 0.652 . . . . 0.0 110.695 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -66.24 -50.88 62.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.216 0.532 . . . . 0.0 109.797 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.2 t -69.76 -34.0 73.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.016 177.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.491 ' HG2' ' HE2' ' A' ' 31' ' ' TYR . 6.3 tp-100 -67.12 -39.66 86.69 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.702 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.78 -42.17 97.91 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.716 177.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -61.6 -48.56 80.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.321 0.582 . . . . 0.0 109.511 177.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -64.16 -36.48 84.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.879 178.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.413 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -67.37 -18.85 65.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.94 -30.57 76.25 Favored Glycine 0 N--CA 1.442 -0.951 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.605 172.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -96.49 -51.48 4.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.408 0.623 . . . . 0.0 110.091 178.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -96.45 -34.03 11.66 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.164 -0.926 . . . . 0.0 113.033 -171.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.413 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -83.66 -18.66 63.35 Favored Glycine 0 CA--C 1.506 -0.469 0 C-N-CA 120.009 -1.091 . . . . 0.0 111.532 -171.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 61.14 -79.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.427 -0.887 . . . . 0.0 112.45 -176.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.0 m -89.91 166.59 13.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.262 0.553 . . . . 0.0 111.404 -172.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.508 ' HB3' HD23 ' A' ' 41' ' ' LEU . 9.1 mt-30 -82.67 -12.67 57.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.445 177.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -73.08 -6.71 47.41 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.913 -1.04 . . . . 0.0 110.198 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.654 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -89.73 24.92 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.76 178.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.8 t -101.09 92.98 2.75 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.312 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.654 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 40.3 Cg_endo -94.82 -9.1 1.5 Allowed 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.419 2.746 . . . . 0.0 115.329 -175.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.491 ' HE2' ' HG2' ' A' ' 15' ' ' GLN . 89.9 m-85 -64.34 -51.98 60.71 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -172.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.564 ' HG2' ' HB2' ' A' ' 35' ' ' ASP . 6.7 tp60 -166.1 176.47 7.66 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -173.009 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.473 ' O ' ' HD2' ' A' ' 37' ' ' ARG . 8.6 pt20 -98.05 -75.75 0.54 Allowed 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 119.273 -0.971 . . . . 0.0 112.08 171.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.46 ' H ' ' HG3' ' A' ' 33' ' ' GLN . 60.7 t -69.14 -50.38 53.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 O-C-N 121.705 -0.622 . . . . 0.0 110.776 -170.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.564 ' HB2' ' HG2' ' A' ' 32' ' ' GLN . 39.8 m-20 -60.93 -49.08 78.89 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.879 0.847 . . . . 0.0 109.101 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.53 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -61.21 -55.25 34.27 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.862 -175.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.616 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 2.2 mpt_? -64.96 -22.19 66.96 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 119.984 -0.687 . . . . 0.0 111.387 -173.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 m -68.2 -38.51 82.05 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 176.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -91.85 -52.14 4.88 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.207 0.527 . . . . 0.0 112.361 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.421 ' CH2' ' HA ' ' A' ' 26' ' ' GLN . 66.7 t90 -61.6 -49.78 75.25 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.403 -174.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.616 ' HB2' ' O ' ' A' ' 37' ' ' ARG . 11.8 mt -72.22 -24.42 61.39 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.995 -177.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.37 -45.16 91.81 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.62 176.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.47 -27.37 65.7 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.912 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.436 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 63.5 t90 -63.85 -52.85 58.18 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.033 0.444 . . . . 0.0 110.234 178.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -66.33 -35.65 80.9 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.466 178.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -56.2 -50.76 70.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.182 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.72 -39.59 77.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.431 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 44' ' ' TRP . 39.3 mmt180 -57.59 -56.67 18.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.437 -176.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.592 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 3.3 p-10 -93.28 1.08 57.16 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.461 -171.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -83.91 -33.04 24.81 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.407 ' HB3' ' HE2' ' A' ' 51' ' ' LYS . 49.3 mtpt -88.44 -22.39 23.73 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 175.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.592 ' CB ' ' HA ' ' A' ' 49' ' ' ASP . 5.1 tt0 -74.57 -18.32 60.6 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 114.433 -1.258 . . . . 0.0 109.657 177.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.441 ' HB3' ' HG ' ' A' ' 58' ' ' LEU . 51.4 m -60.51 -23.43 64.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.154 169.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -71.78 -12.57 74.57 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.102 -0.571 . . . . 0.0 112.341 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.0 tp -92.2 -76.1 0.47 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -169.27 25.33 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.427 0.632 . . . . 0.0 109.928 -177.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -130.97 60.45 1.65 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.927 -176.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.441 ' HG ' ' HB3' ' A' ' 53' ' ' SER . 5.2 mp -80.23 -89.95 0.06 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.955 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 49.0 -126.92 2.07 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 123.637 0.585 . . . . 0.0 111.406 -178.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 72.5 m80 . . . . . 0 C--N 1.326 -0.421 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.32 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.413 ' HG3' ' HG3' ' A' ' 2' ' ' LYS . 12.8 tpt . . . . . 0 N--CA 1.48 1.061 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.413 ' HG3' ' HG3' ' A' ' 1' ' ' MET . 54.7 mtmt 61.05 41.2 14.17 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.196 0.522 . . . . 0.0 110.666 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -138.61 25.09 2.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.298 -177.826 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.427 ' HB2' ' CB ' ' A' ' 7' ' ' ASP . 1.1 mp0 -64.98 125.27 24.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.212 -178.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -72.07 -27.13 62.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.152 -174.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.9 ttp85 -84.3 -32.35 24.4 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.986 176.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.427 ' CB ' ' HB2' ' A' ' 4' ' ' GLN . 19.1 t70 -59.2 -52.76 64.31 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.356 0.598 . . . . 0.0 110.397 179.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.8 ptm85 -63.52 -27.21 69.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.717 -175.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 35' ' ' ASP . 37.5 mt -92.1 -33.58 14.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.731 -177.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -69.11 -26.41 64.9 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 172.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -73.16 -42.54 62.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.583 -1.19 . . . . 0.0 108.47 174.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 40' ' ' TRP . . . -61.57 -31.05 71.07 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.633 174.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -64.97 -50.45 66.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.038 0.447 . . . . 0.0 109.916 177.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.9 t -67.45 -39.02 85.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.358 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -46.09 85.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.46 178.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.05 -38.78 94.8 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.449 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -62.66 -41.19 98.92 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -69.48 -28.29 65.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.1 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.22 -23.67 54.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.763 -177.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.37 -24.61 76.01 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.463 -0.875 . . . . 0.0 111.547 174.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.77 -55.12 2.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.602 0.715 . . . . 0.0 109.509 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.06 -33.45 14.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.235 -173.086 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.82 -19.92 78.48 Favored Glycine 0 CA--C 1.509 -0.304 0 C-N-CA 120.286 -0.959 . . . . 0.0 112.027 -171.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 67.99 -59.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 123.633 0.773 . . . . 0.0 112.273 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.2 m -116.48 173.75 6.44 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.379 -172.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -88.57 -10.09 49.98 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.613 0.72 . . . . 0.0 109.41 178.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -66.53 -9.53 35.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.948 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.637 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -99.14 30.5 3.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.468 -177.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 41.0 t -101.95 93.97 4.15 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.686 0.279 . . . . 0.0 110.893 178.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.637 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 42.3 Cg_endo -96.49 22.96 0.35 Allowed 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 123.365 2.71 . . . . 0.0 113.333 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -97.45 -73.5 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.432 ' HB3' ' HB1' ' A' ' 36' ' ' ALA . 1.7 tt0 -148.55 -175.66 5.01 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -172.052 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.568 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 95.8 mt-30 -101.11 -78.25 0.53 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.028 0.442 . . . . 0.0 111.867 178.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.9 t -75.56 -48.56 29.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.401 0.619 . . . . 0.0 110.451 -175.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.474 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 7.9 m-20 -62.98 -37.16 86.0 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.767 -178.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.432 ' HB1' ' HB3' ' A' ' 32' ' ' GLN . . . -71.03 -30.76 67.05 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.215 -178.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.574 ' HA ' ' HB2' ' A' ' 41' ' ' LEU . 99.2 mtt180 -60.62 -48.89 79.79 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.489 174.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.5 t -61.84 -40.08 94.05 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.534 -174.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.424 ' CD1' ' HB3' ' A' ' 9' ' ' LEU . 84.9 m-85 -93.81 -67.33 0.86 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.65 -178.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.534 ' HB2' ' HB2' ' A' ' 12' ' ' ALA . 68.1 t90 -61.96 -47.09 86.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.463 -173.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.574 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 0.9 OUTLIER -77.33 -28.28 53.06 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -174.122 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.2 -46.39 91.06 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.559 174.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.01 -38.41 92.71 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.646 175.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -58.67 -53.71 55.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.321 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -62.02 -44.43 96.73 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.319 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -55.53 -52.97 61.91 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.304 0.378 . . . . 0.0 110.325 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.43 97.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.107 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.75 -56.6 9.76 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.72 -176.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -64.23 -18.32 64.42 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.786 0.327 . . . . 0.0 111.701 -176.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -77.8 -47.44 18.91 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 121.778 0.799 . . . . 0.0 109.524 -178.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -85.58 -14.82 44.58 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 -175.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -72.94 -42.08 63.81 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 113.638 -1.619 . . . . 0.0 109.502 174.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.3 m -74.33 -23.46 59.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.236 175.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -67.59 -37.75 89.75 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.999 -0.619 . . . . 0.0 111.753 176.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 33.0 tp -81.76 -37.66 26.87 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 175.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.9 t80 62.08 21.0 12.07 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.598 173.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -143.54 61.67 1.38 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.995 0.902 . . . . 0.0 109.395 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.7 pp -73.93 -40.58 63.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.724 -1.125 . . . . 0.0 111.563 -177.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -41.57 117.11 0.86 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.045 -1.434 . . . . 0.0 112.737 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 36.8 m80 . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.941 174.864 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -83.2 -178.6 7.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.618 -176.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 72.57 -57.31 0.63 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.101 0.96 . . . . 0.0 110.392 -178.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.487 ' O ' ' HB2' ' A' ' 7' ' ' ASP . 24.6 mt-30 -84.67 4.93 30.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.843 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.9 tttp -66.63 -39.33 88.23 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.723 -174.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 46.2 ttm-85 -74.68 -22.33 58.92 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.271 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.487 ' HB2' ' O ' ' A' ' 4' ' ' GLN . 1.3 m-20 -55.17 -59.87 4.17 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.815 0.34 . . . . 0.0 111.003 178.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -64.87 -32.41 74.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.627 -177.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.3 mt -78.14 -34.82 49.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.639 0.257 . . . . 0.0 111.454 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -69.19 -30.29 68.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.054 0.454 . . . . 0.0 110.031 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -80.61 -30.14 36.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.426 ' O ' ' HA ' ' A' ' 40' ' ' TRP . . . -61.0 -32.37 71.95 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.64 171.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -64.67 -48.28 75.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.853 178.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.3 m -64.58 -40.01 94.77 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.53 177.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.415 ' HG2' ' HE2' ' A' ' 31' ' ' TYR . 5.9 tp-100 -59.92 -45.5 92.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.177 177.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.491 ' HA3' ' O ' ' A' ' 40' ' ' TRP . . . -61.09 -33.14 83.0 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.104 178.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -63.1 -46.46 87.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 177.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -70.99 -21.3 62.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.311 0.577 . . . . 0.0 109.942 176.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.59 -20.54 53.82 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.877 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.93 -12.38 81.28 Favored Glycine 0 N--CA 1.442 -0.916 0 C-N-CA 120.342 -0.932 . . . . 0.0 111.404 173.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mt -100.22 -54.33 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.723 0.773 . . . . 0.0 109.169 177.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -100.52 -34.91 9.72 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.437 -1.256 . . . . 0.0 112.293 -174.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.58 -19.53 73.46 Favored Glycine 0 CA--C 1.509 -0.311 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.16 -169.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 24' ' ' ARG . 19.5 ttm-85 67.31 -67.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 123.645 0.778 . . . . 0.0 112.671 179.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.7 m -110.22 173.99 6.07 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -169.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -78.47 -14.37 59.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.692 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -57.27 -21.64 35.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.833 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.598 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -89.35 26.94 1.54 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.151 -173.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 47.2 t -107.51 88.52 4.21 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 111.201 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.598 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 31.2 Cg_endo -99.14 32.75 0.11 Allowed 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 123.519 2.812 . . . . 0.0 114.284 -178.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.415 ' HE2' ' HG2' ' A' ' 15' ' ' GLN . 33.0 m-85 -109.05 -36.73 6.0 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -174.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.5 ' HB3' ' HB1' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -179.62 177.24 0.73 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 -174.785 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.438 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 30.4 mm-40 -101.02 -77.04 0.55 Allowed 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 118.732 0.696 . . . . 0.0 112.328 176.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.6 t -66.13 -54.95 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.141 0.495 . . . . 0.0 111.424 -172.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -68.77 -39.64 80.14 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.838 -174.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.5 ' HB1' ' HB3' ' A' ' 32' ' ' GLN . . . -63.45 -46.98 83.77 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 114.944 -1.026 . . . . 0.0 110.617 179.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -60.17 -36.93 78.7 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.006 -176.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.0 p -70.64 -31.39 68.31 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.248 -177.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -96.08 -55.75 2.87 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.386 -0.526 . . . . 0.0 112.176 178.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.491 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 85.6 t90 -59.84 -50.76 72.52 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 123.135 0.574 . . . . 0.0 110.953 -176.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.51 HD22 ' HG3' ' A' ' 45' ' ' ARG . 1.4 tt -76.13 -15.44 60.08 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -176.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.51 -44.31 97.77 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 173.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.23 -31.29 57.54 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.788 175.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -58.57 -52.24 66.48 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.025 0.441 . . . . 0.0 110.305 177.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.51 ' HG3' HD22 ' A' ' 41' ' ' LEU . 37.2 mtp-105 -61.55 -44.12 97.62 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.386 175.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -53.39 -48.21 68.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.952 -176.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.6 -53.79 54.4 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 178.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.3 mtp-105 -60.33 -52.81 63.69 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.238 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.569 ' HA ' ' HB2' ' A' ' 52' ' ' GLN . 1.3 m-20 -64.46 -12.27 41.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.093 -177.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -85.01 -35.38 21.97 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -92.14 -14.2 29.51 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.589 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.569 ' HB2' ' HA ' ' A' ' 49' ' ' ASP . 12.8 mm-40 -84.79 -61.41 1.79 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.206 -1.361 . . . . 0.0 111.106 178.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.5 m -66.09 -19.49 65.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.256 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.39 -23.2 77.64 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.611 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.6 mt -88.41 52.31 2.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.035 0.445 . . . . 0.0 111.421 -176.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -73.22 -4.8 35.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.313 0.578 . . . . 0.0 109.77 172.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -93.46 -46.7 7.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.056 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 54.4 tp -68.27 -64.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.351 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -89.66 104.46 17.01 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.021 178.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 . . . . . 0 C--N 1.32 -0.695 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ttt . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 120.324 0.107 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 87.5 tttt 74.17 -55.98 0.65 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.375 0.67 . . . . 0.0 112.044 176.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 57.9 ttp85 -90.88 68.83 6.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.494 0.664 . . . . 0.0 111.069 -175.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.621 ' HB2' ' HB2' ' A' ' 7' ' ' ASP . 76.9 mt-30 -143.43 159.84 41.66 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.031 -0.986 . . . . 0.0 108.449 170.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -71.65 -37.2 70.84 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.983 -176.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -82.85 -43.52 16.52 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.683 177.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.621 ' HB2' ' HB2' ' A' ' 4' ' ' GLN . 10.8 t70 -44.72 -58.88 2.79 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.658 0.599 . . . . 0.0 111.672 -175.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.7 ptp85 -63.2 -30.59 71.71 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.68 -174.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.486 HD11 ' HB3' ' A' ' 35' ' ' ASP . 96.6 mt -84.38 -31.37 24.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.815 0.34 . . . . 0.0 110.725 -178.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -62.51 -32.65 73.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 122.019 0.914 . . . . 0.0 109.408 173.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.48 ' HD3' ' O ' ' A' ' 7' ' ' ASP . 10.0 mpt_? -85.06 -42.14 15.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.794 -1.093 . . . . 0.0 109.447 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.64 -36.61 69.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.999 176.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -68.73 -42.64 77.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.199 0.523 . . . . 0.0 110.301 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.1 m -71.77 -38.79 70.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.424 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.0 -48.74 67.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.314 177.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.88 -38.1 87.34 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.651 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -60.27 -51.99 67.17 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 177.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.56 -33.23 75.15 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.58 -17.63 64.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 177.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.58 -41.45 57.39 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.354 174.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -84.34 -47.02 11.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.091 0.472 . . . . 0.0 110.484 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -97.35 -38.08 9.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.693 -173.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.48 -21.17 70.18 Favored Glycine 0 C--O 1.233 0.089 0 C-N-CA 120.393 -0.908 . . . . 0.0 111.847 -173.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 69.24 -61.1 0.44 Allowed 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 123.993 0.917 . . . . 0.0 112.459 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.4 m -106.42 169.3 8.6 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.182 0.515 . . . . 0.0 112.296 -171.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -81.38 -10.28 59.57 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.663 176.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -63.97 -14.39 53.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.802 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.617 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -88.99 21.64 3.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.118 -175.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.3 t -100.9 96.62 5.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 111.091 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.617 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 28.0 Cg_endo -96.52 18.41 0.59 Allowed 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 123.287 2.658 . . . . 0.0 113.794 179.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -96.76 -83.57 0.38 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -173.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.548 ' HB3' ' HB1' ' A' ' 36' ' ' ALA . 63.4 tt0 -138.34 177.85 7.57 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -171.155 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.515 ' O ' ' HB2' ' A' ' 37' ' ' ARG . 36.7 tt0 -99.7 -75.7 0.56 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -175.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.6 t -75.35 -52.87 17.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.314 0.578 . . . . 0.0 111.164 -172.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.486 ' HB3' HD11 ' A' ' 9' ' ' LEU . 29.5 m-20 -67.63 -41.92 83.14 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.308 -174.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.548 ' HB1' ' HB3' ' A' ' 32' ' ' GLN . . . -64.08 -31.19 72.29 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.821 177.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.515 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 49.8 ttt180 -61.15 -47.29 86.88 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.6 m -69.48 -32.26 71.04 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.447 -177.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.461 ' CG ' ' HB3' ' A' ' 9' ' ' LEU . 47.7 m-85 -92.21 -56.1 3.18 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -177.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 65.4 t90 -65.62 -52.53 51.18 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.65 -177.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 tt -72.62 -26.9 61.85 Favored 'General case' 0 C--N 1.334 -0.067 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -176.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.27 -46.4 94.35 Favored Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 174.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.75 -35.97 61.94 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.991 -0.623 . . . . 0.0 111.817 176.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -59.02 -50.06 75.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.979 0.419 . . . . 0.0 110.248 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -24.74 62.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.094 -178.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.49 -50.76 66.15 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 174.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.46 -41.13 96.75 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.491 176.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -59.9 -41.41 91.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.038 177.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.551 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 22.1 t70 -81.98 -4.35 56.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.272 0.558 . . . . 0.0 110.424 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -83.86 -29.99 26.8 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -85.93 -27.51 24.9 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 171.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.551 ' CB ' ' HA ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -73.7 -17.84 61.08 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.315 -1.311 . . . . 0.0 109.026 178.543 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.8 t -73.46 -10.13 59.41 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.118 175.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.469 ' O ' ' HB2' ' A' ' 58' ' ' LEU . . . -77.45 0.21 70.18 Favored Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 175.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.4 ' HB2' HD11 ' A' ' 58' ' ' LEU . 76.6 mt 69.46 3.57 4.24 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.641 0.776 . . . . 0.0 111.681 175.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 51.0 t80 68.75 -52.73 0.57 Allowed 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.49 0.716 . . . . 0.0 112.155 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -75.49 -16.46 60.3 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.33 -176.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.469 ' HB2' ' O ' ' A' ' 54' ' ' GLY . 10.7 mp -94.31 -99.06 0.15 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.655 178.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 37.82 52.06 1.41 Allowed 'General case' 0 N--CA 1.473 0.714 0 O-C-N 123.905 0.753 . . . . 0.0 110.728 -175.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 45.1 t60 . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.729 -167.523 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 120.785 0.326 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -95.94 5.18 51.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -177.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.7 mtm180 -82.27 20.95 0.97 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.231 0.539 . . . . 0.0 110.291 177.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.67 HE21 ' HB2' ' A' ' 7' ' ' ASP . 4.1 tp60 -74.96 -0.72 19.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.867 -174.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -63.43 -43.53 97.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.07 0.462 . . . . 0.0 110.797 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 54.1 ttm-85 -76.7 -21.47 55.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.548 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.67 ' HB2' HE21 ' A' ' 4' ' ' GLN . 21.3 t70 -56.61 -49.35 75.21 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.847 0.832 . . . . 0.0 110.029 176.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -60.99 -35.73 77.6 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.087 -1.415 . . . . 0.0 111.089 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.406 ' CD1' ' HB3' ' A' ' 35' ' ' ASP . 43.2 mt -88.51 -30.97 18.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.095 -175.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -69.77 -26.72 64.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.613 0.72 . . . . 0.0 109.319 176.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.5 ttm105 -79.46 -36.06 39.4 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 174.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.8 -29.56 70.23 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.358 173.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -68.84 -45.97 69.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.429 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.2 t -68.96 -36.96 78.52 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 176.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -60.32 -43.54 96.28 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.764 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.32 -36.87 93.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.345 -0.455 . . . . 0.0 112.347 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -57.63 -51.48 69.35 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.429 ' HA ' HD21 ' A' ' 21' ' ' LEU . 18.5 tptm -70.8 -25.99 63.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.273 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.78 -18.59 64.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.162 0.506 . . . . 0.0 110.37 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.37 -33.77 83.07 Favored Glycine 0 N--CA 1.438 -1.201 0 C-N-CA 120.438 -0.887 . . . . 0.0 111.501 172.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.429 HD21 ' HA ' ' A' ' 18' ' ' LYS . 1.1 mm? -91.3 -45.33 8.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.321 0.581 . . . . 0.0 110.031 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.04 -40.13 8.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.798 -171.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.43 -12.48 80.37 Favored Glycine 0 C--O 1.23 -0.125 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.629 -169.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.2 ttm-85 68.58 -76.32 0.06 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.196 0.599 . . . . 0.0 112.143 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.2 m -113.08 176.24 5.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.023 0.439 . . . . 0.0 111.9 -171.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.499 ' HG2' HD23 ' A' ' 41' ' ' LEU . 13.9 mt-30 -76.36 -20.85 56.8 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.042 177.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -60.0 -22.62 62.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.918 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.508 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -84.54 28.4 0.66 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.671 -176.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 53.7 t -107.55 93.19 9.62 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.768 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.508 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 63.4 Cg_endo -92.34 57.9 0.69 Allowed 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 123.205 2.604 . . . . 0.0 112.554 178.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -132.01 -71.62 0.54 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.477 ' HB3' ' HB1' ' A' ' 36' ' ' ALA . 6.4 tp-100 -156.13 179.21 9.44 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -174.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.422 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 99.6 mt-30 -100.08 -77.15 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 176.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 46.2 t -68.65 -50.13 58.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.221 0.534 . . . . 0.0 111.128 -173.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.406 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 5.7 m-20 -64.01 -40.87 97.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.638 0.733 . . . . 0.0 109.73 -177.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.477 ' HB1' ' HB3' ' A' ' 32' ' ' GLN . . . -70.4 -34.35 72.44 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.954 -179.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.679 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 17.9 ttt180 -56.5 -49.52 74.47 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 176.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.9 m -67.12 -39.07 86.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.059 -173.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -93.71 -57.88 2.43 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -176.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.436 ' CZ3' ' HA ' ' A' ' 26' ' ' GLN . 83.8 t90 -63.74 -43.63 95.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.712 -175.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.679 ' HB2' ' O ' ' A' ' 37' ' ' ARG . 17.2 mt -78.68 -17.88 55.26 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.909 -178.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.62 -46.29 94.03 Favored Glycine 0 N--CA 1.44 -1.084 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.571 176.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.99 -34.61 55.4 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.828 176.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -62.08 -49.57 75.41 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.928 0.394 . . . . 0.0 110.694 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -71.48 -29.21 64.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.166 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.27 -47.99 74.78 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.064 -0.346 . . . . 0.0 110.064 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.92 89.63 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.284 176.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.9 mmt-85 -59.56 -60.72 3.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.871 175.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.417 ' HA ' ' HB2' ' A' ' 52' ' ' GLN . 16.1 m-20 -59.48 -20.57 56.27 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -176.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -85.86 -32.41 21.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.327 0.584 . . . . 0.0 109.469 -174.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -85.77 -22.55 27.65 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 176.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.626 ' HA ' HD23 ' A' ' 55' ' ' LEU . 39.8 mm-40 -81.45 -18.77 44.14 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.583 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.7 m -68.67 -5.29 19.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.168 176.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -100.59 -4.27 54.82 Favored Glycine 0 CA--C 1.52 0.367 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.626 HD23 ' HA ' ' A' ' 52' ' ' GLN . 4.2 mm? -92.0 26.02 2.61 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -175.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -77.9 27.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.199 0.523 . . . . 0.0 110.5 176.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.512 ' H ' ' C ' ' A' ' 55' ' ' LEU . 20.9 ttmm -76.05 0.12 19.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.371 -177.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.2 mt -66.56 -67.81 0.42 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.695 -177.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.3 -30.68 10.48 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.825 -176.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 55.0 m80 . . . . . 0 C--N 1.323 -0.576 0 CA-C-O 121.232 0.539 . . . . 0.0 110.242 175.765 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.5 mtm . . . . . 0 N--CA 1.482 1.135 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 2' ' ' LYS . 57.4 tttp 60.84 43.41 12.0 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.375 0.607 . . . . 0.0 111.233 172.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.488 ' HG3' ' N ' ' A' ' 4' ' ' GLN . 21.2 ptt180 -90.29 -54.31 4.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.789 -0.57 . . . . 0.0 112.463 -175.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.488 ' N ' ' HG3' ' A' ' 3' ' ' ARG . 53.9 mt-30 -138.86 95.95 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.04 0.448 . . . . 0.0 111.999 -170.175 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -109.51 -76.97 0.6 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.314 0.578 . . . . 0.0 110.616 172.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -62.85 -24.99 68.06 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.641 -176.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.483 ' OD1' ' HA ' ' A' ' 4' ' ' GLN . 3.4 m-20 -54.28 -73.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.288 -174.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 8' ' ' ARG . 20.3 ptt-85 -69.7 -19.64 63.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.06 0.457 . . . . 0.0 111.056 -174.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.451 ' CD1' ' HB3' ' A' ' 35' ' ' ASP . 42.0 mt -77.91 -41.33 36.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.456 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.472 ' O ' ' HB3' ' A' ' 13' ' ' GLN . 42.6 tt0 -67.51 -28.48 67.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.489 0.661 . . . . 0.0 110.151 178.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -76.48 -33.05 58.68 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.451 176.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.88 -28.07 68.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.271 171.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.472 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 32.3 tt0 -64.03 -49.73 71.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.682 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.2 m -69.0 -33.86 74.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.397 176.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -63.73 -43.37 96.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.459 177.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' A' ' 40' ' ' TRP . . . -59.77 -41.01 97.38 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.829 -179.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -58.85 -52.62 64.95 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -59.62 -39.03 82.93 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.62 177.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.12 -19.82 65.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.521 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.97 -33.08 65.7 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.401 -0.904 . . . . 0.0 112.139 174.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -92.33 -38.97 11.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.552 0.692 . . . . 0.0 110.287 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -94.62 -43.51 8.26 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.878 -171.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.14 -17.05 58.3 Favored Glycine 0 CA--C 1.506 -0.501 0 C-N-CA 120.114 -1.041 . . . . 0.0 111.073 -175.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.2 ttp-105 68.1 -57.8 0.47 Allowed 'General case' 0 CA--C 1.537 0.444 0 O-C-N 124.568 0.805 . . . . 0.0 112.402 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.3 m -102.28 175.82 5.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.105 0.479 . . . . 0.0 111.863 -175.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -86.19 -8.42 57.82 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.664 0.745 . . . . 0.0 109.396 176.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -69.58 -6.54 31.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.578 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.627 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -88.29 14.36 9.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.549 -178.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 41.4 t -97.52 100.3 7.91 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.661 0.267 . . . . 0.0 111.156 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.627 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 29.6 Cg_endo -95.07 14.91 1.18 Allowed 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 123.417 2.745 . . . . 0.0 113.529 176.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -92.1 -90.44 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -172.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.497 ' HB3' ' HB1' ' A' ' 36' ' ' ALA . 48.3 tt0 -139.21 -177.68 5.02 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -173.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -100.95 -77.52 0.54 Allowed 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 88.3 t -65.06 -54.73 25.95 Favored 'Isoleucine or valine' 0 C--O 1.241 0.65 0 CA-C-O 121.373 0.606 . . . . 0.0 111.196 -172.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.451 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 6.2 m-20 -66.07 -43.75 86.47 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.677 -176.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.497 ' HB1' ' HB3' ' A' ' 32' ' ' GLN . . . -64.27 -40.44 95.99 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.391 -178.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.414 ' HA ' ' HB2' ' A' ' 41' ' ' LEU . 42.7 mtm105 -57.61 -41.52 81.42 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.446 176.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.2 m -65.62 -32.47 74.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.828 -175.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -99.97 -59.73 1.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.109 0.48 . . . . 0.0 112.036 -178.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.4 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 80.1 t90 -66.03 -47.7 73.53 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.205 -175.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.414 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -76.49 -25.46 54.28 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -175.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.81 -44.4 98.06 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 174.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.38 -39.3 61.83 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.849 177.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 78.7 t90 -57.51 -52.27 66.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.296 0.569 . . . . 0.0 110.38 178.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -31.59 71.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.524 -177.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -68.03 -43.61 78.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.394 -177.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.37 -47.56 78.65 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.51 0.671 . . . . 0.0 110.06 175.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -58.54 -46.66 86.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.818 177.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.582 ' HA ' ' HB2' ' A' ' 52' ' ' GLN . 36.1 t70 -66.04 -15.33 62.95 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.099 -178.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -89.62 -25.05 21.49 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -88.38 -21.74 24.15 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 173.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.582 ' HB2' ' HA ' ' A' ' 49' ' ' ASP . 9.4 mm100 -84.36 -67.87 0.76 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 113.98 -1.464 . . . . 0.0 111.445 -177.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.5 m -76.28 -13.19 60.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.01 0.433 . . . . 0.0 110.607 -178.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.93 -23.81 71.02 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.965 -0.635 . . . . 0.0 111.917 176.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -118.6 -76.49 0.57 Allowed 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.896 -0.152 . . . . 0.0 110.631 176.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 71.1 t80 66.94 -60.81 0.35 Allowed 'General case' 0 N--CA 1.465 0.297 0 O-C-N 124.192 0.933 . . . . 0.0 109.823 -174.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 56.3 tttm 176.15 22.15 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.697 -1.138 . . . . 0.0 108.927 174.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.1 mt -92.67 164.58 13.34 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.002 0.43 . . . . 0.0 110.817 -173.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -140.66 -41.48 0.41 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.703 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.1 p80 . . . . . 0 C--N 1.324 -0.505 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 171.623 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 111.492 0.182 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.554 ' O ' ' HB3' ' A' ' 3' ' ' ARG . 87.8 tttt -88.16 92.16 9.05 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.843 -174.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.554 ' HB3' ' O ' ' A' ' 2' ' ' LYS . 11.3 ptt180 171.43 9.92 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.791 0 O-C-N 124.17 0.919 . . . . 0.0 111.111 169.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -81.46 5.11 18.72 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -166.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.538 ' O ' ' HG2' ' A' ' 8' ' ' ARG . 44.2 pttt -66.41 -30.08 70.37 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 170.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.29 -36.19 79.4 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.089 176.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.568 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 1.4 m-20 -57.87 -56.16 25.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.634 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.538 ' HG2' ' O ' ' A' ' 5' ' ' LYS . 6.8 ptp180 -63.58 -28.1 69.7 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.44 -178.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 5' ' ' LYS . 98.0 mt -77.27 -37.28 53.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.493 -178.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -69.82 -28.58 65.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.521 0.676 . . . . 0.0 109.543 177.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' A' ' 7' ' ' ASP . 96.5 mtt180 -72.84 -41.51 64.75 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 174.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.515 ' HB2' ' HB2' ' A' ' 40' ' ' TRP . . . -62.77 -29.26 70.57 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.095 174.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -68.79 -42.59 77.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.285 0.564 . . . . 0.0 109.581 178.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.5 t -71.21 -44.42 65.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.97 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -61.73 -44.19 97.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.68 178.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.89 -37.02 83.03 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.019 178.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -58.53 -52.74 64.36 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 176.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.568 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 83.1 tttt -65.74 -31.31 72.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.929 0.395 . . . . 0.0 110.485 177.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.26 -22.39 66.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.296 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.1 -31.32 77.4 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.204 176.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -99.82 -49.23 4.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.118 0.485 . . . . 0.0 110.923 178.374 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -101.0 -25.56 14.02 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.656 -170.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -81.63 -15.54 75.55 Favored Glycine 0 CA--C 1.505 -0.591 0 C-N-CA 120.055 -1.069 . . . . 0.0 110.776 -178.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.3 mtp85 59.07 -70.64 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.7 m -106.45 163.48 12.83 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.21 0.528 . . . . 0.0 112.144 -171.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.412 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 39.1 mt-30 -74.95 -8.68 57.19 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.064 176.019 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -60.16 -23.6 64.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.394 176.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.627 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -87.22 31.24 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.048 -173.255 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.5 t -104.51 90.87 3.59 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-O 120.846 0.355 . . . . 0.0 110.786 178.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.627 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 40.4 Cg_endo -96.45 -8.36 1.06 Allowed 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.065 2.51 . . . . 0.0 115.113 -177.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -76.3 -45.22 33.45 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 -169.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.592 ' HG2' ' HB2' ' A' ' 35' ' ' ASP . 38.0 tp60 -160.31 176.98 11.09 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -177.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.418 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 26.0 tp60 -101.22 -75.25 0.59 Allowed 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.116 -0.634 . . . . 0.0 112.039 176.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.6 t -74.74 -50.53 25.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 CA-C-O 121.429 0.633 . . . . 0.0 110.618 -174.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.592 ' HB2' ' HG2' ' A' ' 32' ' ' GLN . 7.0 m-20 -63.07 -37.29 86.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.139 -177.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.508 ' HB1' ' HB3' ' A' ' 32' ' ' GLN . . . -72.01 -28.8 63.62 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.886 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -59.24 -51.35 70.35 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.308 -0.557 . . . . 0.0 109.857 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.3 m -69.16 -32.99 72.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.047 -176.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.422 ' CG ' ' HB3' ' A' ' 9' ' ' LEU . 43.6 m-85 -87.65 -63.67 1.27 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -178.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.515 ' HB2' ' HB2' ' A' ' 12' ' ' ALA . 80.0 t90 -64.49 -47.48 78.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.238 -174.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 tt -72.95 -25.14 60.92 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -176.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.98 -40.15 95.16 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.462 174.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.91 -33.75 59.61 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.486 174.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 82.3 t90 -59.98 -53.97 51.6 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 177.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -64.61 -28.29 69.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.162 178.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -58.13 -61.61 2.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.182 0.515 . . . . 0.0 109.837 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.1 -37.51 81.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.993 -179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.592 ' O ' ' HB2' ' A' ' 52' ' ' GLN . 4.7 tpt180 -62.6 -51.68 66.35 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.425 -177.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.446 ' HA ' ' HB3' ' A' ' 52' ' ' GLN . 1.7 m-20 -71.24 -23.67 62.04 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -177.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -74.74 -34.13 62.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.587 0.708 . . . . 0.0 109.285 -176.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -91.53 -11.5 37.2 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.623 HE21 ' HA ' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -78.56 -68.44 0.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.497 -1.229 . . . . 0.0 111.045 -178.351 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.8 p -84.72 -27.39 27.02 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.223 -177.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.17 -25.15 62.27 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.163 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.2 mt 63.39 9.36 4.05 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.129 0.571 . . . . 0.0 112.121 177.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 76.9 t80 67.23 2.6 2.87 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.317 0.58 . . . . 0.0 111.463 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -109.06 20.67 18.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.565 0.698 . . . . 0.0 109.955 -178.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 pp -70.78 156.08 39.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.79 177.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -67.57 99.4 0.76 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.48 -174.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.465 0.29 0 O-C-N 124.004 0.815 . . . . 0.0 110.42 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.7 ttp-105 . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 120.01 -0.043 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -48.18 -62.22 1.59 Allowed 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -172.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -68.33 -19.76 64.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.738 0.304 . . . . 0.0 111.259 -172.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.401 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 96.1 mt -89.76 -34.75 16.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.987 0.422 . . . . 0.0 110.581 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.42 -34.86 73.01 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.119 177.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.4 mtm-85 -91.92 -26.58 18.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.441 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 9' ' ' LEU . . . -63.28 -30.93 71.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.848 171.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -60.02 -42.74 95.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.281 178.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.3 m -79.2 -39.21 33.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.558 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.643 ' HG2' ' HE2' ' A' ' 31' ' ' TYR . 5.8 tp-100 -60.68 -43.36 97.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.72 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.99 -40.36 98.36 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.159 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -60.44 -49.75 76.34 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -63.01 -36.34 83.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.449 178.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.15 -21.92 66.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.969 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.78 -43.23 92.19 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.523 -0.846 . . . . 0.0 111.903 174.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -85.58 -48.38 8.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.227 0.537 . . . . 0.0 110.787 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -98.22 -37.48 9.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.572 -172.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.39 -10.72 83.15 Favored Glycine 0 CA--C 1.51 -0.243 0 C-N-CA 120.285 -0.96 . . . . 0.0 112.451 -169.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 64.93 -64.52 0.16 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.791 0.836 . . . . 0.0 112.656 -177.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.6 m -120.01 176.65 5.32 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -166.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.548 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 37.8 mt-30 -85.56 -5.92 59.23 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.939 178.521 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -62.96 -21.13 65.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.212 -0.903 . . . . 0.0 110.048 177.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.696 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -101.09 40.28 1.3 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.542 -175.41 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.1 p -106.67 81.95 0.96 Allowed Pre-proline 0 CA--C 1.543 0.71 0 CA-C-O 121.093 0.473 . . . . 0.0 110.749 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.696 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 48.0 Cg_endo -97.41 41.97 0.1 Allowed 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 123.24 2.627 . . . . 0.0 114.107 -170.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.643 ' HE2' ' HG2' ' A' ' 15' ' ' GLN . 96.9 m-85 -119.36 -105.9 0.38 Allowed 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.73 178.347 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.57 ' HG2' ' HB2' ' A' ' 35' ' ' ASP . 41.0 tp60 -93.52 177.96 5.86 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 176.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.414 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 76.8 mt-30 -101.62 -75.36 0.59 Allowed 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.93 -0.481 . . . . 0.0 111.176 174.336 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.512 ' O ' ' HB3' ' A' ' 37' ' ' ARG . 58.5 t -70.51 -46.98 67.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-O 121.5 0.667 . . . . 0.0 111.645 -174.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.57 ' HB2' ' HG2' ' A' ' 32' ' ' GLN . 8.3 m-20 -69.92 -25.99 63.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.934 -178.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 40' ' ' TRP . . . -78.66 -25.03 44.86 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.046 177.101 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.512 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 22.8 ttt85 -59.09 -53.84 53.79 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 171.223 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.2 p -70.55 -24.34 62.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.615 -175.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -96.95 -69.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.027 0.442 . . . . 0.0 112.032 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.548 ' CH2' ' HA ' ' A' ' 26' ' ' GLN . 68.4 t90 -61.21 -45.01 96.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.336 -175.198 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.441 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 0.5 OUTLIER -76.07 -21.78 56.35 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-O 121.197 0.523 . . . . 0.0 110.035 -175.164 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.29 -47.81 61.82 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.27 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.89 -34.21 71.25 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.656 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 84.5 t90 -58.06 -53.82 53.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.882 0.372 . . . . 0.0 110.52 178.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 49.2 mtm105 -63.36 -36.62 84.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.094 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -66.31 -50.45 63.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.807 -177.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.427 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.27 -179.539 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 33.0 ttt180 . . . . . 0 C--O 1.22 -0.495 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -58.13 -52.18 66.62 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 122.183 0.992 . . . . 0.0 110.077 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -64.36 -39.49 93.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.143 -1.389 . . . . 0.0 110.941 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.501 ' CD2' ' HA ' ' A' ' 36' ' ' ALA . 79.5 mt -78.98 -22.74 45.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.365 -178.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 5.1 tp10 -60.18 -38.91 84.7 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 172.257 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -75.76 -41.23 53.76 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 114.502 -1.226 . . . . 0.0 109.485 177.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' A' ' 9' ' ' LEU . . . -55.82 -33.98 64.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.873 175.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -73.37 -45.76 53.06 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.819 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -70.41 -37.7 74.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.863 0.363 . . . . 0.0 110.339 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -73.0 -29.26 62.89 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.38 -45.83 95.45 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.423 ' CD2' ' HB2' ' A' ' 47' ' ' ALA . 45.5 t80 -56.6 -50.45 71.94 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 175.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -61.95 -35.23 77.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.869 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.54 -20.27 66.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.15 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.63 84.83 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.062 -1.066 . . . . 0.0 111.549 171.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -91.85 -39.01 11.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.554 0.693 . . . . 0.0 109.845 178.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.0 -46.64 11.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.932 -1.031 . . . . 0.0 112.504 -173.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.09 -29.62 6.72 Favored Glycine 0 CA--C 1.51 -0.256 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.666 -170.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 73.4 -43.26 0.55 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.753 0.821 . . . . 0.0 112.64 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 62.5 m -104.91 164.48 11.76 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.981 0.42 . . . . 0.0 111.924 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -77.43 -17.01 58.5 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.108 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -68.51 -3.37 11.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.82 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.596 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -88.01 20.3 3.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.545 177.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 48.5 t -102.12 92.16 2.94 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.139 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.596 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 83.2 Cg_endo -85.81 -14.26 5.39 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.071 2.514 . . . . 0.0 114.668 -175.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.417 ' HE2' ' CD1' ' A' ' 40' ' ' TRP . 2.5 m-85 -70.18 -71.32 0.25 Allowed 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.826 0.822 . . . . 0.0 111.507 -172.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.576 ' HG2' ' H ' ' A' ' 33' ' ' GLN . 43.9 tt0 -149.41 179.62 7.81 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 -176.284 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.576 ' H ' ' HG2' ' A' ' 32' ' ' GLN . 80.3 mt-30 -98.17 -75.79 0.54 Allowed 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 120.084 -0.646 . . . . 0.0 112.072 173.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 76.9 t -59.79 -58.68 6.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -169.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -70.18 -44.0 69.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.734 0.778 . . . . 0.0 109.362 -174.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.501 ' HA ' ' CD2' ' A' ' 9' ' ' LEU . . . -53.58 -53.21 55.04 Favored 'General case' 0 C--O 1.213 -0.848 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.858 177.341 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -66.06 -22.24 66.41 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -177.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.5 m -67.87 -32.72 73.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.119 0.485 . . . . 0.0 109.799 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -95.91 -50.29 4.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.345 0.593 . . . . 0.0 111.911 174.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.417 ' CD1' ' HE2' ' A' ' 31' ' ' TYR . 72.7 t90 -69.14 -53.15 21.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.536 -171.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.463 HD23 ' O ' ' A' ' 41' ' ' LEU . 2.6 tt -67.08 -33.27 75.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.734 0.302 . . . . 0.0 110.686 -171.627 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.11 -47.54 90.3 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.772 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.01 -34.17 65.09 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.69 -0.766 . . . . 0.0 111.645 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -58.25 -53.9 53.04 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.673 0.273 . . . . 0.0 111.169 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 50.2 ttp85 -66.99 -36.9 83.2 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -176.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -59.05 -47.73 84.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.684 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.423 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . . . . . . . . 0 C--O 1.24 0.564 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.078 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 . . . . . 0 C--O 1.222 -0.364 0 CA-C-O 120.495 0.188 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -54.59 -67.29 0.28 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.574 0.702 . . . . 0.0 111.615 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.6 ptt-85 -79.46 -10.56 59.83 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.955 -173.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.566 HD11 ' HB3' ' A' ' 35' ' ' ASP . 64.2 mt -82.23 -33.56 29.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.022 0.439 . . . . 0.0 110.099 172.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -60.66 -38.98 86.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.619 173.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -85.74 -30.25 23.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.689 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.601 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -60.48 -32.88 71.84 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.436 172.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -62.4 -47.52 83.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.469 0.652 . . . . 0.0 109.633 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.5 m -71.24 -41.98 69.43 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.051 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.77 ' HG2' ' HE2' ' A' ' 31' ' ' TYR . 6.9 tp60 -61.62 -42.49 98.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.53 177.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.48 -43.66 95.79 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.573 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.423 ' CD1' ' HB2' ' A' ' 47' ' ' ALA . 69.3 t80 -63.93 -39.3 93.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.132 0.491 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 70.8 tttt -74.59 -17.62 60.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.193 0.521 . . . . 0.0 110.105 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.41 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -85.28 -24.23 27.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.429 -175.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.18 -35.92 92.24 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 119.912 -1.137 . . . . 0.0 110.975 172.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.484 ' CD2' ' HB1' ' A' ' 47' ' ' ALA . 0.3 OUTLIER -83.61 -55.53 4.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.446 0.641 . . . . 0.0 109.603 178.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 33.7 m-80 -94.41 -36.8 11.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.027 -0.988 . . . . 0.0 113.08 -170.225 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.41 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -80.5 -21.69 63.85 Favored Glycine 0 CA--C 1.511 -0.189 0 C-N-CA 120.226 -0.988 . . . . 0.0 111.759 -171.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 60.68 -63.24 0.07 Allowed 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.791 1.236 . . . . 0.0 113.297 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 m -99.45 167.77 10.41 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.087 0.47 . . . . 0.0 111.478 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.407 ' C ' ' H ' ' A' ' 28' ' ' ALA . 12.5 mt-30 -78.99 -12.97 60.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.927 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -77.51 14.7 0.93 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.428 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.598 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -108.45 24.29 13.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.289 177.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.8 t -102.9 94.46 5.34 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.442 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.598 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 42.8 Cg_endo -93.33 26.15 0.38 Allowed 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 123.497 2.798 . . . . 0.0 113.646 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.77 ' HE2' ' HG2' ' A' ' 15' ' ' GLN . 89.6 m-85 -108.92 -46.03 3.69 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -175.474 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.594 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 6.5 tp60 -176.77 175.76 1.6 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -173.1 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.477 ' O ' ' HB2' ' A' ' 37' ' ' ARG . 49.5 mt-30 -101.08 -73.89 0.63 Allowed 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 174.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.4 t -71.57 -48.22 53.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 121.103 0.478 . . . . 0.0 111.24 -173.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.574 ' HB2' ' HG2' ' A' ' 32' ' ' GLN . 5.9 m-20 -67.27 -38.61 85.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.829 0.823 . . . . 0.0 109.402 -178.137 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.594 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -72.03 -26.17 62.09 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.6 178.032 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 19.4 ttt180 -61.97 -50.22 72.96 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.119 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.2 p -71.06 -29.79 65.77 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.716 -175.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -95.29 -63.58 1.15 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.57 -0.452 . . . . 0.0 112.128 178.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.601 ' HB2' ' HB1' ' A' ' 12' ' ' ALA . 85.1 t90 -64.68 -45.97 84.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.534 -174.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 tt -75.67 -25.8 57.08 Favored 'General case' 0 C--N 1.334 -0.07 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -173.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.14 -48.9 75.89 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.603 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.87 -35.02 72.13 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.489 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -57.21 -50.67 72.14 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 176.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.428 ' O ' ' HD3' ' A' ' 45' ' ' ARG . 2.7 tmt_? -58.72 -45.08 90.39 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.511 -177.188 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -55.58 -58.95 5.66 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.511 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.484 ' HB1' ' CD2' ' A' ' 21' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.674 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 ttp-105 . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.688 0.28 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -57.65 -57.15 13.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.787 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -70.9 -21.74 62.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.479 -177.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.5 mt -77.68 -41.5 37.85 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.463 0.171 . . . . 0.0 111.463 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -71.14 -22.12 62.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.239 0.542 . . . . 0.0 110.03 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -75.93 -40.09 54.87 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 174.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.74 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -64.16 -33.53 76.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.21 174.575 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -59.65 -48.25 82.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.478 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -74.85 -41.21 60.3 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.304 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -60.56 -40.93 93.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.412 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.23 -42.16 98.57 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.861 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -64.42 -37.95 89.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.095 0.474 . . . . 0.0 110.22 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -76.17 -23.72 54.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.029 0.442 . . . . 0.0 110.284 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.89 -20.3 42.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.713 -176.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.455 ' HA3' ' HB3' ' A' ' 47' ' ' ALA . . . -71.1 -20.39 77.92 Favored Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 119.904 -1.141 . . . . 0.0 111.213 173.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.69 -49.71 4.09 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.497 0.665 . . . . 0.0 109.644 178.441 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.23 -37.63 11.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.901 -1.045 . . . . 0.0 112.423 -174.235 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.06 -17.54 67.05 Favored Glycine 0 CA--C 1.51 -0.272 0 C-N-CA 120.208 -0.996 . . . . 0.0 112.251 -170.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 61.08 -68.51 0.05 OUTLIER 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.19 0.996 . . . . 0.0 113.36 -178.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.9 m -94.98 173.59 7.51 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.131 0.491 . . . . 0.0 111.34 -174.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.426 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 55.7 mt-30 -84.38 -9.48 58.39 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.605 0.717 . . . . 0.0 109.292 174.628 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -68.69 -10.02 53.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.004 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.568 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -86.08 16.97 3.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.492 -178.418 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.6 t -102.2 96.32 6.89 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.97 0.414 . . . . 0.0 110.995 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.568 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 58.4 Cg_endo -89.26 -2.73 6.08 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 122.787 2.324 . . . . 0.0 113.216 177.069 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -76.25 -62.5 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -171.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -167.65 -176.55 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 -176.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.597 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 83.7 mm-40 -102.51 -76.91 0.57 Allowed 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 178.1 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.4 t -61.31 -58.94 5.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.55 0.691 . . . . 0.0 111.634 -172.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -68.7 -33.2 73.55 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.446 -173.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.417 ' O ' ' HB3' ' A' ' 40' ' ' TRP . . . -71.78 -27.74 63.16 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.493 179.201 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.622 ' HA ' ' HB2' ' A' ' 41' ' ' LEU . 95.3 mtt180 -64.31 -46.34 83.98 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 119.873 -0.731 . . . . 0.0 110.036 175.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.3 m -64.32 -32.15 73.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.137 -177.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -94.81 -66.04 0.94 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.094 0.473 . . . . 0.0 111.963 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.74 ' HB2' ' HB1' ' A' ' 12' ' ' ALA . 77.3 t90 -65.31 -49.29 70.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.51 -175.121 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.622 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 1.2 tt -75.96 -31.76 59.2 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -171.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.84 -46.22 94.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.41 174.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.67 -35.21 73.69 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.711 175.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -59.35 -43.29 92.82 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 122.409 0.283 . . . . 0.0 110.661 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' ' 41' ' ' LEU . 62.4 mtp180 -69.09 -33.01 72.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.096 -179.051 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -68.82 -43.46 75.54 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.33 0.586 . . . . 0.0 109.677 175.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.455 ' HB3' ' HA3' ' A' ' 20' ' ' GLY . . . . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.642 175.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.953 0.406 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -51.81 -60.16 3.49 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.063 178.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -69.34 -27.51 65.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.572 -176.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.2 mt -74.79 -38.53 62.11 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.969 -0.293 . . . . 0.0 111.46 -178.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 13' ' ' GLN . 43.5 tt0 -67.2 -29.76 69.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.67 0.748 . . . . 0.0 109.474 173.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -70.99 -39.56 72.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.187 -0.915 . . . . 0.0 108.829 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.51 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -63.95 -30.64 71.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.286 173.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.405 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 29.6 tt0 -63.69 -50.54 68.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.051 0.453 . . . . 0.0 109.977 177.503 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.3 m -65.5 -37.71 87.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.45 177.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -65.07 -43.26 92.81 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.783 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.3 -37.72 94.25 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 112.213 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -64.52 -40.73 96.17 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -69.12 -30.4 68.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.401 175.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.475 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -76.21 -22.72 54.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.496 -177.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.463 ' HA3' ' HB3' ' A' ' 47' ' ' ALA . . . -69.72 -22.83 76.93 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.395 -0.907 . . . . 0.0 111.664 174.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.413 ' CD2' ' HB1' ' A' ' 47' ' ' ALA . 0.2 OUTLIER -98.79 -47.41 5.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.363 0.601 . . . . 0.0 109.452 177.768 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -100.12 -37.69 8.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.926 -1.033 . . . . 0.0 112.849 -171.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -77.55 -22.12 70.7 Favored Glycine 0 CA--C 1.507 -0.453 0 C-N-CA 120.103 -1.046 . . . . 0.0 111.766 -171.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 66.24 -61.25 0.29 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.589 0.756 . . . . 0.0 112.7 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.6 m -105.17 172.61 6.7 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.005 0.431 . . . . 0.0 111.746 -174.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -81.17 -14.27 57.77 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-O 121.647 0.737 . . . . 0.0 109.221 175.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -58.17 -10.94 2.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.418 -1.264 . . . . 0.0 111.105 177.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.479 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -92.01 22.41 4.34 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.688 -177.088 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 47.4 t -108.81 90.46 7.6 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-O 120.946 0.403 . . . . 0.0 111.231 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.479 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 52.1 Cg_endo -91.14 16.81 1.51 Allowed 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 123.199 2.599 . . . . 0.0 113.861 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -100.73 -68.33 0.82 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.003 0.43 . . . . 0.0 112.149 -172.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.523 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 6.3 tp-100 -154.66 176.29 12.61 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -175.19 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.419 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 6.7 tp-100 -101.14 -76.01 0.57 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.905 176.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.9 t -63.97 -54.93 25.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 121.4 0.619 . . . . 0.0 111.373 -173.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.84 -42.64 99.82 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.845 0.831 . . . . 0.0 109.521 -177.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.523 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -70.67 -28.84 65.09 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.783 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.563 ' HA ' ' HB2' ' A' ' 41' ' ' LEU . 32.7 ttt85 -57.97 -49.08 78.03 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 174.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.6 t -63.86 -41.46 97.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.526 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -89.0 -60.75 1.87 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.51 ' HB2' ' HB1' ' A' ' 12' ' ' ALA . 73.9 t90 -70.6 -50.26 39.04 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.433 -174.547 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.563 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 2.1 tt -76.32 -34.07 59.02 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -170.412 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.84 -43.62 97.81 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.825 -0.703 . . . . 0.0 111.427 174.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.5 -36.03 82.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.87 177.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -57.14 -47.67 80.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.83 0.348 . . . . 0.0 110.547 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -66.88 -36.56 82.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.213 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -71.15 -40.65 71.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.851 0.358 . . . . 0.0 110.471 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.463 ' HB3' ' HA3' ' A' ' 20' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.818 177.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 6' ' ' ARG . 23.1 ttt180 . . . . . 0 C--O 1.225 -0.227 0 CA-C-O 120.385 0.136 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -51.06 -59.98 3.59 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.7 0.762 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 49.7 ptt85 -71.5 -14.67 62.19 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.933 -174.5 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.541 HD21 ' OD1' ' A' ' 35' ' ' ASP . 57.9 mt -89.83 -49.12 6.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.534 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -66.72 -29.59 69.61 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.404 0.621 . . . . 0.0 109.726 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -84.54 -27.49 27.31 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.204 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -64.73 -33.06 75.07 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.063 0.458 . . . . 0.0 109.766 168.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -63.01 -41.52 99.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.063 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -81.49 -39.14 25.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.826 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.4 tm0? -71.44 -25.66 62.4 Favored 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.95 -37.38 94.2 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 173.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.549 ' CD1' ' HB2' ' A' ' 47' ' ' ALA . 64.8 t80 -63.52 -45.93 88.36 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 174.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -60.4 -35.52 75.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.277 174.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.11 -36.75 72.28 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.207 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.08 -29.85 75.77 Favored Glycine 0 C--N 1.315 -0.587 0 C-N-CA 120.126 -1.035 . . . . 0.0 111.83 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.651 HD13 ' HB1' ' A' ' 47' ' ' ALA . 2.0 mp -80.19 -52.65 7.49 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.538 0.685 . . . . 0.0 110.616 177.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -100.69 -41.83 6.76 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.768 -1.105 . . . . 0.0 112.274 -168.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.57 -20.92 59.14 Favored Glycine 0 CA--C 1.501 -0.785 0 C-N-CA 120.041 -1.076 . . . . 0.0 110.842 -169.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 64.58 -58.61 0.24 Allowed 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 114.366 -0.917 . . . . 0.0 112.734 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.0 m -94.56 175.45 6.67 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.071 0.462 . . . . 0.0 112.13 -170.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -85.71 -16.34 39.3 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.679 177.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -57.09 -18.77 15.94 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.769 177.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.471 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -82.21 20.02 1.1 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.09 -176.206 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.8 t -107.59 92.84 9.11 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 111.284 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.471 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 43.1 Cg_endo -92.33 41.77 0.31 Allowed 'Trans proline' 0 CA--C 1.533 0.461 0 C-N-CA 123.194 2.596 . . . . 0.0 113.091 176.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -113.14 -86.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -175.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.554 ' HG3' ' H ' ' A' ' 33' ' ' GLN . 51.0 tp60 -152.41 -178.16 6.66 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -170.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.554 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 53.0 tt0 -99.57 -76.24 0.55 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 118.367 0.531 . . . . 0.0 112.39 175.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 67.5 t -57.0 -62.07 1.03 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.834 0 CA-C-O 121.554 0.692 . . . . 0.0 112.012 -170.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.541 ' OD1' HD21 ' A' ' 9' ' ' LEU . 1.1 p30 -68.86 -34.4 75.39 Favored 'General case' 0 CA--C 1.497 -1.077 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.801 -173.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 32' ' ' GLN . . . -70.21 -33.15 71.33 Favored 'General case' 0 N--CA 1.427 -1.614 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.327 -175.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.592 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 89.2 mtt-85 -58.36 -47.85 82.47 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 173.08 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.1 t -64.64 -31.49 72.74 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.258 -174.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -100.76 -55.4 2.59 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -177.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -66.21 -42.18 89.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.232 -173.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.592 ' HB2' ' O ' ' A' ' 37' ' ' ARG . 23.5 mt -71.82 -22.3 61.57 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.963 -177.409 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.21 -47.56 63.62 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.286 -0.959 . . . . 0.0 111.275 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.65 -33.42 63.56 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.82 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -63.55 -50.77 68.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.432 0.158 . . . . 0.0 110.592 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 45' ' ' ARG . 46.3 mtm180 -64.07 -36.87 85.43 Favored 'General case' 0 CA--C 1.521 -0.172 0 C-N-CA 121.216 -0.194 . . . . 0.0 111.044 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.36 -58.62 7.72 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.651 ' HB1' HD13 ' A' ' 21' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.795 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.474 ' HA ' HD12 ' A' ' 9' ' ' LEU . 24.9 ttm-85 . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 120.921 0.391 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -55.18 -46.89 75.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.681 178.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -81.38 -6.33 58.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.99 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 6' ' ' ARG . 71.0 mt -87.36 -39.7 15.07 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 175.388 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -64.41 -30.59 71.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.823 0.82 . . . . 0.0 109.036 171.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -39.76 58.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.591 -1.186 . . . . 0.0 108.992 177.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.627 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -63.68 -25.41 68.2 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.666 176.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -64.13 -49.19 73.14 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.0 m -67.2 -38.05 84.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.25 0.548 . . . . 0.0 110.367 177.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.493 ' HG2' ' HE2' ' A' ' 31' ' ' TYR . 7.1 tp60 -65.09 -39.24 92.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.607 178.61 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.83 -37.83 88.78 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.971 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -58.07 -48.18 80.92 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 174.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -62.48 -34.74 77.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.517 176.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.408 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -70.04 -23.59 63.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.132 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.4 -33.75 64.12 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.171 -1.014 . . . . 0.0 111.423 174.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.79 -60.92 2.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.556 0.693 . . . . 0.0 110.184 176.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -100.27 -30.99 11.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.73 -1.123 . . . . 0.0 112.819 -170.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.408 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -71.71 -20.45 78.61 Favored Glycine 0 C--O 1.235 0.191 0 C-N-CA 120.322 -0.942 . . . . 0.0 112.252 -170.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 69.03 -55.48 0.55 Allowed 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.435 0.694 . . . . 0.0 112.756 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.4 m -128.76 173.69 10.12 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -172.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.433 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 40.6 mt-30 -79.91 -15.7 56.79 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.933 178.038 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -59.01 -19.23 41.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.737 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.583 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -85.4 27.38 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.143 -176.499 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.5 t -105.26 94.41 8.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.004 0.431 . . . . 0.0 110.863 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.583 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 40.6 Cg_endo -95.8 17.55 0.74 Allowed 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.241 2.628 . . . . 0.0 114.493 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.493 ' HE2' ' HG2' ' A' ' 15' ' ' GLN . 71.2 m-85 -99.4 -85.81 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.053 0.454 . . . . 0.0 112.223 -174.128 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.597 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 49.8 tp60 -124.89 177.76 5.85 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -176.45 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.46 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 89.5 mt-30 -101.13 -76.23 0.57 Allowed 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.874 177.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 67.6 t -70.68 -50.38 44.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.31 0.576 . . . . 0.0 110.734 -175.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.528 ' HB2' ' HG2' ' A' ' 32' ' ' GLN . 1.5 m-20 -61.02 -45.06 96.32 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.487 -178.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.597 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -65.74 -31.56 72.62 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 114.671 -1.15 . . . . 0.0 111.119 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -60.16 -50.89 71.88 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.857 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.0 p -67.2 -27.48 67.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.229 -174.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -99.98 -63.93 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.627 ' HB2' ' HB1' ' A' ' 12' ' ' ALA . 83.3 t90 -61.22 -49.17 78.23 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.042 -177.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 41' ' ' LEU . 1.3 tt -79.56 -22.69 43.48 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 -175.007 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.59 -43.83 97.43 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.816 -0.706 . . . . 0.0 111.372 173.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.71 -36.29 61.97 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.683 175.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 85.9 t90 -58.63 -51.29 70.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.168 0.508 . . . . 0.0 110.23 176.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 45' ' ' ARG . 1.3 mmm180 -61.91 -34.55 76.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.151 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.74 -56.44 10.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.091 0.472 . . . . 0.0 110.447 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.407 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.585 -177.613 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.504 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 51.5 ttm-85 . . . . . 0 CA--C 1.52 -0.205 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -49.05 -53.27 20.98 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.804 0.811 . . . . 0.0 110.462 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -59.67 -33.36 71.46 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.526 -177.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 35' ' ' ASP . 53.5 mt -85.91 -32.24 21.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.745 -177.096 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 6' ' ' ARG . 22.1 mm-40 -59.73 -31.61 69.78 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.433 0.635 . . . . 0.0 109.773 174.462 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 11' ' ' ARG . 13.2 mtp180 -88.44 -32.8 18.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.163 178.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 9' ' ' LEU . . . -59.14 -30.32 68.06 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.477 175.338 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -66.58 -51.43 56.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.386 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.7 m -65.44 -35.09 79.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.368 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -62.9 -45.95 90.1 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.948 176.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.92 -34.29 89.54 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.128 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.491 ' HE1' ' OD2' ' A' ' 46' ' ' ASP . 8.1 t80 -62.45 -49.34 75.8 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.071 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -64.7 -32.07 73.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.22 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.439 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -71.74 -14.65 62.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.808 176.68 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.01 -33.81 56.66 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.572 174.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -91.44 -43.2 9.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.47 0.653 . . . . 0.0 110.214 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -100.36 -38.12 8.58 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.388 -0.824 . . . . 0.0 112.87 -173.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.439 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -76.25 -17.83 79.71 Favored Glycine 0 CA--C 1.511 -0.209 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.235 -171.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 69.11 -63.77 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 123.688 0.795 . . . . 0.0 112.642 177.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.7 m -111.82 169.35 8.89 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.002 0.43 . . . . 0.0 111.718 -171.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.474 ' OE1' HD21 ' A' ' 41' ' ' LEU . 25.4 mt-30 -86.5 -6.55 58.87 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.736 0.779 . . . . 0.0 109.076 177.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.76 12.54 1.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.541 -1.209 . . . . 0.0 110.093 -179.454 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.662 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -117.33 27.88 8.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.723 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 44.1 t -102.89 90.71 2.47 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.812 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.662 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 49.3 Cg_endo -92.94 3.08 3.53 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.967 2.445 . . . . 0.0 114.527 -175.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -77.5 -68.65 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -173.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.505 ' HG3' ' H ' ' A' ' 33' ' ' GLN . 5.1 tp60 -146.41 -171.92 3.84 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -174.341 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.505 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 45.3 mt-30 -100.98 -76.92 0.55 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.186 0.517 . . . . 0.0 111.7 175.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.9 t -74.24 -47.94 38.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.826 -173.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.456 ' O ' ' HD1' ' A' ' 39' ' ' TYR . 10.9 m-20 -64.72 -44.33 90.53 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.572 -178.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.91 -32.36 73.82 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.228 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.455 HH11 ' HD3' ' A' ' 37' ' ' ARG . 37.2 ttt180 -59.62 -51.34 70.22 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.755 0.312 . . . . 0.0 110.163 176.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 t -68.32 -30.63 69.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.5 -172.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.456 ' HD1' ' O ' ' A' ' 35' ' ' ASP . 65.9 m-85 -92.44 -68.77 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.18 0.514 . . . . 0.0 111.75 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 59.5 t90 -63.92 -48.73 75.4 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.04 -174.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.474 HD21 ' OE1' ' A' ' 26' ' ' GLN . 5.1 tt -78.59 -33.74 47.31 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -172.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.86 -43.55 99.14 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 173.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.93 -37.81 93.61 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.808 175.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -57.64 -53.52 57.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.701 0.286 . . . . 0.0 110.522 177.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -64.92 -36.71 85.24 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.062 -178.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.491 ' OD2' ' HE1' ' A' ' 17' ' ' TYR . 35.3 t70 -62.35 -50.34 71.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.973 0.416 . . . . 0.0 110.008 179.04 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.043 178.334 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 . . . . . 0 C--O 1.224 -0.243 0 CA-C-O 120.728 0.299 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.84 -63.72 1.2 Allowed 'General case' 0 C--O 1.24 0.581 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.638 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -66.93 -28.71 68.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.737 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' A' ' 35' ' ' ASP . 68.2 mt -71.53 -37.71 71.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.415 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -60.07 -39.77 87.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.309 0.575 . . . . 0.0 109.556 175.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -75.33 -39.56 59.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.346 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.446 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -59.67 -28.92 67.69 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.827 176.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -71.57 -45.72 61.45 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.072 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.9 m -70.26 -39.52 74.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.409 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -43.16 74.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.776 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.21 -37.47 93.0 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.013 177.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -55.88 -54.37 45.49 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 174.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -67.48 -30.28 69.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.378 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.43 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -66.54 -16.36 64.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.93 0.395 . . . . 0.0 111.012 177.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.92 -34.14 71.01 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.196 -1.002 . . . . 0.0 111.539 171.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -92.46 -41.85 10.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.501 0.667 . . . . 0.0 110.118 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -95.29 -41.82 8.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.479 -173.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.43 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -77.38 -26.79 60.76 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.288 -0.958 . . . . 0.0 111.365 -175.37 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.2 ttp85 67.43 -55.07 0.47 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.85 0.86 . . . . 0.0 112.472 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.9 m -103.71 -177.86 3.49 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.741 0.305 . . . . 0.0 111.076 -177.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -97.21 -16.42 20.4 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 122.018 0.913 . . . . 0.0 108.619 -177.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.75 0.41 5.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.093 -1.412 . . . . 0.0 111.166 179.4 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.594 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -91.33 21.91 4.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.542 176.303 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.8 t -104.67 92.33 4.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.719 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.594 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 62.0 Cg_endo -92.77 8.4 2.73 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 123.163 2.576 . . . . 0.0 113.383 178.552 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -82.78 -70.72 0.53 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -174.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.555 ' HG2' ' HB2' ' A' ' 35' ' ' ASP . 48.1 tp60 -153.09 179.96 8.24 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -172.143 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.407 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 54.5 tp60 -100.59 -75.84 0.57 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.848 174.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.9 t -72.26 -47.49 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.213 0.53 . . . . 0.0 110.84 -172.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.627 ' HB3' HD11 ' A' ' 9' ' ' LEU . 2.0 m-20 -60.94 -48.22 82.81 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.844 0.83 . . . . 0.0 109.562 178.193 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.539 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -66.93 -32.86 74.39 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.046 -178.162 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -55.76 -47.97 76.08 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.1 t -61.8 -44.76 96.23 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.391 -175.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -94.66 -56.16 2.88 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -175.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.446 ' HB2' ' HB1' ' A' ' 12' ' ' ALA . 66.4 t90 -65.49 -46.88 77.98 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.695 -176.199 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.54 -26.04 50.69 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -177.33 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.43 -51.16 58.27 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.432 174.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.99 -31.32 77.7 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 121.128 -0.558 . . . . 0.0 111.824 176.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 29.5 t90 -59.4 -48.5 81.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.036 0.446 . . . . 0.0 109.876 176.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.408 ' HD3' HH11 ' A' ' 45' ' ' ARG . 11.5 mmm-85 -70.22 -36.65 74.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.027 177.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -57.81 -48.16 80.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.33 0.586 . . . . 0.0 110.01 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.249 176.783 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 6' ' ' ARG . 6.1 tpt180 . . . . . 0 C--O 1.222 -0.359 0 CA-C-O 120.681 0.277 . . . . 0.0 110.781 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -55.15 -60.4 3.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.407 0.622 . . . . 0.0 110.66 177.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -77.74 -20.81 52.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.439 -174.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.598 HD11 ' HB3' ' A' ' 35' ' ' ASP . 23.9 mt -82.16 -46.28 14.01 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -66.14 -31.04 71.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.835 0.826 . . . . 0.0 109.28 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -77.63 -34.89 53.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.82 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.4 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -65.39 -28.94 69.62 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.238 173.411 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.13 -45.17 74.33 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.9 t -66.56 -44.93 80.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.189 175.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -59.65 -42.91 93.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.789 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.447 ' O ' ' HA ' ' A' ' 44' ' ' TRP . . . -62.76 -42.54 99.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.269 -0.491 . . . . 0.0 112.09 178.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -58.08 -50.41 73.55 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -62.79 -35.01 78.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.543 176.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.49 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -66.15 -20.91 66.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.072 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.03 -41.81 92.78 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.319 -0.943 . . . . 0.0 111.571 173.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -84.74 -48.31 9.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.93 0.395 . . . . 0.0 110.457 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -99.84 -39.13 8.35 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -173.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.49 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -71.26 -25.46 75.47 Favored Glycine 0 CA--C 1.512 -0.139 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.876 -171.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 ttp85 68.88 -65.68 0.28 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.58 0.752 . . . . 0.0 112.411 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.0 m -104.46 171.19 7.47 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.065 0.46 . . . . 0.0 111.724 -174.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.477 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 40.0 mt-30 -91.08 -11.68 37.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.498 0.666 . . . . 0.0 110.072 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -67.86 -8.88 40.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.211 176.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.679 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -88.86 23.61 2.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.398 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.9 t -100.15 94.75 3.47 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-O 120.952 0.406 . . . . 0.0 110.548 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.679 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 38.0 Cg_endo -94.47 34.39 0.18 Allowed 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 123.472 2.781 . . . . 0.0 113.57 -178.323 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -111.12 -81.26 0.58 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -175.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.436 ' CG ' ' H ' ' A' ' 33' ' ' GLN . 27.7 tt0 -150.77 -172.73 4.27 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -172.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.436 ' H ' ' CG ' ' A' ' 32' ' ' GLN . 74.6 mt-30 -100.53 -77.41 0.54 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 118.302 0.501 . . . . 0.0 112.134 -179.116 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.0 t -67.41 -54.66 21.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 121.339 0.59 . . . . 0.0 111.066 -173.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.598 ' HB3' HD11 ' A' ' 9' ' ' LEU . 3.1 m-20 -60.88 -48.56 81.26 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.07 -176.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.23 -30.45 71.5 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.25 -1.341 . . . . 0.0 111.488 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 66.6 ttt180 -59.7 -53.88 52.84 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 178.434 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.2 m -70.34 -25.26 63.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.432 -174.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -96.33 -58.3 2.1 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.477 ' CH2' ' HA ' ' A' ' 26' ' ' GLN . 67.6 t90 -71.25 -51.67 23.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.833 -175.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 tt -71.43 -34.42 70.27 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -175.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.94 -51.34 59.78 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.683 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.67 -33.22 80.12 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.999 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.447 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 90.8 t90 -58.26 -55.81 30.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.035 0.445 . . . . 0.0 110.647 177.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.7 ttt-85 -72.23 -31.12 65.55 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.082 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -55.52 -57.2 12.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.538 178.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.382 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.161 179.758 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 . . . . . 0 CA--C 1.527 0.078 0 CA-C-O 120.458 0.17 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -54.24 -54.73 35.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.177 0.513 . . . . 0.0 110.619 178.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.464 ' NH2' ' HB2' ' A' ' 32' ' ' GLN . 8.0 ptt-85 -70.29 -23.22 62.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.554 -177.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.1 mt -78.23 -46.46 20.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.932 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -70.0 -23.8 63.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.326 0.584 . . . . 0.0 109.651 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -80.28 -30.41 38.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.493 174.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.95 -26.1 68.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.953 172.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -65.39 -38.74 90.9 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 177.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.3 t -75.52 -37.39 60.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.845 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -59.53 -44.58 93.16 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.863 176.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.445 ' HA2' ' HB3' ' A' ' 19' ' ' ALA . . . -65.55 -34.61 89.57 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.294 178.564 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.464 ' CD2' ' HB2' ' A' ' 47' ' ' ALA . 36.3 t80 -60.28 -43.75 95.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.124 0.488 . . . . 0.0 109.94 176.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -73.64 -29.14 62.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.404 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.492 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -75.46 -18.22 59.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.689 -177.352 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.0 -23.67 77.65 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 120.347 -0.93 . . . . 0.0 111.408 174.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.59 -49.91 4.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.648 0.737 . . . . 0.0 109.765 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -99.66 -33.31 10.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.588 -173.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.492 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -75.75 -9.35 84.96 Favored Glycine 0 CA--C 1.506 -0.49 0 C-N-CA 120.433 -0.889 . . . . 0.0 111.049 -175.34 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 66.05 -69.85 0.11 Allowed 'General case' 0 CA--C 1.536 0.428 0 O-C-N 124.579 0.811 . . . . 0.0 112.681 178.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.475 ' HB3' ' OE1' ' A' ' 27' ' ' GLU . 14.9 m -111.43 -173.35 2.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.258 -171.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.421 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 13.6 mt-30 -97.4 -17.51 19.65 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 122.443 1.116 . . . . 0.0 108.077 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.475 ' OE1' ' HB3' ' A' ' 25' ' ' SER . 19.6 mp0 -64.74 -12.97 52.93 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 113.191 -1.822 . . . . 0.0 111.002 178.089 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.636 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -86.08 12.48 9.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.516 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.4 t -82.32 103.27 2.17 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.846 0.355 . . . . 0.0 110.563 178.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.636 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 74.8 Cg_endo -78.13 -24.6 8.0 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.789 2.326 . . . . 0.0 113.825 -175.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -96.86 135.07 39.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 119.076 -0.487 . . . . 0.0 111.322 -172.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.792 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 28.3 tt0 46.89 177.49 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.234 0 O-C-N 125.041 1.463 . . . . 0.0 114.945 159.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 7.1 tp-100 -104.87 -78.52 0.57 Allowed 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 121.143 -0.973 . . . . 0.0 112.684 175.145 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.2 t -74.75 -50.99 23.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.972 0.415 . . . . 0.0 111.548 -167.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -67.08 -35.7 80.39 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.609 0.719 . . . . 0.0 109.08 -175.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.792 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -59.52 -52.91 63.56 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.718 -1.128 . . . . 0.0 111.125 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 33' ' ' GLN . 13.9 mtp85 -61.64 -31.52 71.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.132 -177.141 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.6 m -67.64 -32.49 73.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.204 0.526 . . . . 0.0 110.397 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -96.81 -62.18 1.3 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.809 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.421 ' CH2' ' HA ' ' A' ' 26' ' ' GLN . 79.4 t90 -61.47 -46.25 90.82 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.291 -175.576 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.45 -19.69 45.51 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -175.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.76 -48.62 75.16 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.34 -33.58 64.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.792 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 54.8 t90 -57.55 -52.51 65.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.189 0.518 . . . . 0.0 110.334 177.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -64.25 -38.05 89.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.517 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -62.86 -57.52 10.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.814 0.34 . . . . 0.0 110.77 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.464 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.796 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -59.11 -46.59 87.92 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 121.653 0.74 . . . . 0.0 109.436 173.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -51.01 -42.78 60.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.155 -1.384 . . . . 0.0 111.258 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.7 mt -81.32 -41.16 22.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.804 -178.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.21 -25.55 64.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.059 0.457 . . . . 0.0 110.446 -178.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -83.35 -28.22 29.14 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 176.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.49 -27.02 68.99 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.171 171.108 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -69.93 -41.39 74.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.044 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.0 m -71.14 -40.11 71.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.212 175.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.43 -48.31 73.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.637 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.47 ' HA2' ' HB3' ' A' ' 19' ' ' ALA . . . -57.55 -32.6 65.06 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.115 178.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.436 ' CD1' ' HB2' ' A' ' 47' ' ' ALA . 34.7 t80 -59.97 -53.51 56.95 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 176.328 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -70.34 -20.79 62.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.066 0.46 . . . . 0.0 110.365 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.475 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -80.68 -18.98 46.25 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.178 0.513 . . . . 0.0 110.725 -177.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.0 -24.27 74.26 Favored Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.17 -1.014 . . . . 0.0 110.907 172.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.849 HD21 ' HB1' ' A' ' 47' ' ' ALA . 0.8 OUTLIER -93.87 -53.77 3.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.599 0.714 . . . . 0.0 109.404 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -101.01 -31.9 10.88 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.617 -173.204 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -71.49 -11.09 71.79 Favored Glycine 0 CA--C 1.505 -0.587 0 C-N-CA 120.043 -1.075 . . . . 0.0 110.853 -176.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 61.58 -72.73 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 114.6 -0.8 . . . . 0.0 112.23 -178.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.7 m -105.56 175.37 5.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.282 0.563 . . . . 0.0 112.014 -173.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -81.2 -13.26 58.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.21 177.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.54 -16.61 56.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.735 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.557 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -85.51 25.23 1.07 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.741 -177.324 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.9 t -108.4 85.99 3.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 0.0 110.546 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.557 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 34.7 Cg_endo -94.35 31.51 0.22 Allowed 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.289 2.66 . . . . 0.0 113.683 -177.268 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -107.01 -71.67 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.377 -0.529 . . . . 0.0 112.108 -174.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.603 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 32.2 tt0 -149.35 177.56 9.57 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -172.374 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.503 ' O ' ' HB2' ' A' ' 37' ' ' ARG . 15.9 mm100 -101.26 -76.85 0.56 Allowed 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.143 -0.623 . . . . 0.0 112.464 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.2 t -66.13 -55.15 20.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 CA-C-O 121.438 0.637 . . . . 0.0 111.421 -173.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.79 -35.51 77.11 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.836 -175.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.603 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -68.91 -38.29 79.48 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.637 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.503 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 9.8 ttt180 -57.86 -41.43 82.41 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.2 m -67.94 -44.87 75.79 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.646 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -81.16 -55.3 4.84 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -176.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -69.54 -47.31 64.13 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.458 -172.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.496 ' O ' ' HG3' ' A' ' 45' ' ' ARG . 0.5 OUTLIER -74.32 -25.16 59.39 Favored 'General case' 0 N--CA 1.461 0.09 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.54 -174.587 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.53 -51.41 56.34 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.692 177.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.43 -30.0 69.47 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.882 177.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -59.43 -49.15 78.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.863 0.363 . . . . 0.0 110.64 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 41' ' ' LEU . 16.7 mtm180 -66.17 -45.42 80.96 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.498 179.087 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -56.59 -56.71 17.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.987 -177.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.849 ' HB1' HD21 ' A' ' 21' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.309 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 . . . . . 0 N--CA 1.455 -0.196 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 27.9 m-20 -55.93 -42.5 76.22 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.413 -179.265 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -58.66 -26.97 64.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.685 178.288 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.568 HD11 ' HB3' ' A' ' 35' ' ' ASP . 78.2 mt -94.52 -26.42 16.44 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.213 -177.197 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -66.05 -35.43 80.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.793 0.806 . . . . 0.0 108.875 173.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 7' ' ' ASP . 16.5 mtm180 -82.64 -33.46 27.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.689 178.487 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.454 ' HB3' ' HA ' ' A' ' 9' ' ' LEU . . . -63.37 -34.06 76.89 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 120.995 0.426 . . . . 0.0 110.242 173.372 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -64.22 -47.21 80.58 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.488 0.661 . . . . 0.0 109.705 178.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.3 m -71.24 -42.02 69.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.34 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -63.12 -41.92 99.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.553 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.22 -40.6 97.54 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.284 -0.484 . . . . 0.0 112.026 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.401 ' O ' HD22 ' A' ' 21' ' ' LEU . 80.3 t80 -61.34 -50.85 71.25 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 177.584 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -63.31 -36.35 83.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.319 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.453 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -67.03 -23.32 65.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.95 0.405 . . . . 0.0 111.014 178.017 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.33 -42.3 99.23 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.602 -0.808 . . . . 0.0 111.349 174.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.401 HD22 ' O ' ' A' ' 17' ' ' TYR . 1.0 OUTLIER -86.1 -55.96 3.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.488 0.661 . . . . 0.0 110.485 178.744 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -92.24 -33.61 14.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.493 -170.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.453 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -77.46 -17.05 79.67 Favored Glycine 0 CA--C 1.512 -0.111 0 C-N-CA 120.224 -0.989 . . . . 0.0 112.391 -172.198 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 66.34 -73.95 0.07 Allowed 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 123.506 0.722 . . . . 0.0 112.087 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.0 m -99.85 169.36 9.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.295 0.569 . . . . 0.0 111.928 -172.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.49 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 46.7 mt-30 -79.91 -6.95 58.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.827 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -63.18 -19.15 64.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.184 175.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.429 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -82.31 26.88 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.705 -176.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 40.7 t -112.51 81.69 4.29 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-O 121.007 0.432 . . . . 0.0 110.799 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 38.5 Cg_endo -92.6 36.8 0.23 Allowed 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 123.336 2.69 . . . . 0.0 113.716 -178.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -112.76 -59.16 2.05 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -173.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.627 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 6.8 tp60 -160.49 177.4 10.58 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -174.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.454 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 15.9 mm100 -98.16 -77.15 0.51 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 118.443 0.565 . . . . 0.0 112.108 178.225 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.6 t -73.2 -48.85 41.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.022 0.439 . . . . 0.0 110.632 -172.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.568 ' HB3' HD11 ' A' ' 9' ' ' LEU . 2.8 m-20 -58.42 -54.35 47.98 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 122.24 1.019 . . . . 0.0 108.862 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.627 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -56.74 -55.48 33.62 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.363 -176.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.63 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 99.3 mtt180 -61.19 -25.53 67.1 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -174.444 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.7 m -71.17 -35.68 71.72 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.349 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -94.16 -53.14 4.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.079 0.466 . . . . 0.0 111.921 176.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.49 ' CH2' ' HA ' ' A' ' 26' ' ' GLN . 66.0 t90 -60.33 -47.05 87.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.639 -174.015 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.63 ' HB2' ' O ' ' A' ' 37' ' ' ARG . 2.2 mt -71.92 -16.19 62.11 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.75 0.31 . . . . 0.0 110.915 -177.466 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.19 -52.26 33.16 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 175.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.99 -36.03 92.59 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.392 176.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -58.12 -49.6 76.41 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.08 0.466 . . . . 0.0 110.26 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.4 mtm180 -65.95 -38.02 87.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.592 177.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -62.3 -48.18 81.02 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.648 -177.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.069 178.595 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 120.551 0.215 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -60.46 -57.43 12.78 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 121.554 0.692 . . . . 0.0 110.699 175.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.89 -17.75 61.0 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.709 -173.323 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.59 HD11 ' HB3' ' A' ' 35' ' ' ASP . 86.6 mt -86.13 -34.64 20.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.036 176.443 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -63.38 -38.22 90.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.864 0.84 . . . . 0.0 108.752 174.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 11' ' ' ARG . 47.3 mtm180 -76.3 -34.78 59.06 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.682 -1.145 . . . . 0.0 109.378 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.42 -30.85 71.88 Favored 'General case' 0 CA--C 1.518 -0.275 0 O-C-N 123.743 0.652 . . . . 0.0 110.695 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -66.24 -50.88 62.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.216 0.532 . . . . 0.0 109.797 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.2 t -69.76 -34.0 73.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.016 177.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.504 ' HG2' ' HE2' ' A' ' 31' ' ' TYR . 6.3 tp-100 -67.12 -39.66 86.69 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.702 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.78 -42.17 97.91 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.716 177.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -61.6 -48.56 80.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.321 0.582 . . . . 0.0 109.511 177.143 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -64.16 -36.48 84.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.879 178.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.517 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -67.37 -18.85 65.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.94 -30.57 76.25 Favored Glycine 0 N--CA 1.442 -0.951 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.605 172.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -96.49 -51.48 4.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.408 0.623 . . . . 0.0 110.091 178.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -96.45 -34.03 11.66 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.164 -0.926 . . . . 0.0 113.033 -171.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.517 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -83.66 -18.66 63.35 Favored Glycine 0 CA--C 1.506 -0.469 0 C-N-CA 120.009 -1.091 . . . . 0.0 111.532 -171.136 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 61.14 -79.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.427 -0.887 . . . . 0.0 112.45 -176.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.0 m -89.91 166.59 13.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.262 0.553 . . . . 0.0 111.404 -172.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.509 ' HB3' HD21 ' A' ' 41' ' ' LEU . 36.2 mt-30 -82.67 -12.67 57.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.445 177.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -73.08 -6.71 47.41 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.913 -1.04 . . . . 0.0 110.198 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.671 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -89.73 24.92 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.76 178.011 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.8 t -101.09 92.98 2.75 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.312 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.671 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 40.3 Cg_endo -94.82 -9.1 1.5 Allowed 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.419 2.746 . . . . 0.0 115.329 -175.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.504 ' HE2' ' HG2' ' A' ' 15' ' ' GLN . 89.9 m-85 -64.34 -51.98 60.71 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -172.142 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.657 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 6.7 tp60 -166.1 176.47 7.66 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -173.009 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.497 ' O ' ' HD2' ' A' ' 37' ' ' ARG . 8.6 pt20 -98.05 -75.75 0.54 Allowed 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 119.273 -0.971 . . . . 0.0 112.08 171.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.489 ' H ' ' HG3' ' A' ' 33' ' ' GLN . 60.7 t -69.14 -50.38 53.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 O-C-N 121.705 -0.622 . . . . 0.0 110.776 -170.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.59 ' HB3' HD11 ' A' ' 9' ' ' LEU . 39.8 m-20 -60.93 -49.08 78.89 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.879 0.847 . . . . 0.0 109.101 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.657 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -61.21 -55.25 34.27 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.862 -175.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.623 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 2.2 mpt_? -64.96 -22.19 66.96 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 119.984 -0.687 . . . . 0.0 111.387 -173.693 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 m -68.2 -38.51 82.05 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 176.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -91.85 -52.14 4.88 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.207 0.527 . . . . 0.0 112.361 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.429 ' CH2' ' HA ' ' A' ' 26' ' ' GLN . 66.7 t90 -61.6 -49.78 75.25 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.403 -174.276 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.623 ' HB2' ' O ' ' A' ' 37' ' ' ARG . 11.8 mt -72.22 -24.42 61.39 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.995 -177.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.37 -45.16 91.81 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.62 176.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.47 -27.37 65.7 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.912 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -63.85 -52.85 58.18 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.033 0.444 . . . . 0.0 110.234 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -66.33 -35.65 80.9 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.466 178.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -56.2 -50.76 70.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.182 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.431 178.886 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 6' ' ' ARG . 18.9 ttp85 . . . . . 0 N--CA 1.456 -0.167 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -59.2 -52.76 64.31 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.356 0.598 . . . . 0.0 110.397 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.8 ptm85 -63.52 -27.21 69.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.717 -175.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.491 ' CD1' ' HB3' ' A' ' 35' ' ' ASP . 37.5 mt -92.1 -33.58 14.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.731 -177.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -69.11 -26.41 64.9 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 172.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -73.16 -42.54 62.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.583 -1.19 . . . . 0.0 108.47 174.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.569 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -61.57 -31.05 71.07 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.633 174.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -64.97 -50.45 66.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.038 0.447 . . . . 0.0 109.916 177.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.9 t -67.45 -39.02 85.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.358 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -46.09 85.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.46 178.06 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.05 -38.78 94.8 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.449 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -62.66 -41.19 98.92 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -69.48 -28.29 65.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.1 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.22 -23.67 54.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.763 -177.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.37 -24.61 76.01 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.463 -0.875 . . . . 0.0 111.547 174.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.77 -55.12 2.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.602 0.715 . . . . 0.0 109.509 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.06 -33.45 14.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.235 -173.086 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.82 -19.92 78.48 Favored Glycine 0 CA--C 1.509 -0.304 0 C-N-CA 120.286 -0.959 . . . . 0.0 112.027 -171.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 67.99 -59.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 123.633 0.773 . . . . 0.0 112.273 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.2 m -116.48 173.75 6.44 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.379 -172.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -88.57 -10.09 49.98 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.613 0.72 . . . . 0.0 109.41 178.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -66.53 -9.53 35.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.948 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.658 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -99.14 30.5 3.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.468 -177.264 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 41.0 t -101.95 93.97 4.15 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.686 0.279 . . . . 0.0 110.893 178.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.658 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 42.3 Cg_endo -96.49 22.96 0.35 Allowed 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 123.365 2.71 . . . . 0.0 113.333 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -97.45 -73.5 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.527 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 1.7 tt0 -148.55 -175.66 5.01 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -172.052 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.569 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 95.8 mt-30 -101.11 -78.25 0.53 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.028 0.442 . . . . 0.0 111.867 178.558 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.9 t -75.56 -48.56 29.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.401 0.619 . . . . 0.0 110.451 -175.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.491 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 7.9 m-20 -62.98 -37.16 86.0 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.767 -178.263 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.527 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -71.03 -30.76 67.05 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.215 -178.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.597 ' HA ' ' HB2' ' A' ' 41' ' ' LEU . 99.2 mtt180 -60.62 -48.89 79.79 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.489 174.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.5 t -61.84 -40.08 94.05 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.534 -174.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.431 ' CD1' ' HB3' ' A' ' 9' ' ' LEU . 84.9 m-85 -93.81 -67.33 0.86 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.65 -178.261 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.569 ' HB2' ' HB1' ' A' ' 12' ' ' ALA . 68.1 t90 -61.96 -47.09 86.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.463 -173.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.597 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 0.9 OUTLIER -77.33 -28.28 53.06 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -174.122 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.2 -46.39 91.06 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.559 174.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.01 -38.41 92.71 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.646 175.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -58.67 -53.71 55.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.321 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -62.02 -44.43 96.73 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.319 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -55.53 -52.97 61.91 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.304 0.378 . . . . 0.0 110.325 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.107 179.671 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 46.2 ttm-85 . . . . . 0 N--CA 1.451 -0.418 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.17 -59.87 4.17 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.815 0.34 . . . . 0.0 111.003 178.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -64.87 -32.41 74.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.627 -177.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.401 HD11 ' HB3' ' A' ' 35' ' ' ASP . 41.3 mt -78.14 -34.82 49.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.639 0.257 . . . . 0.0 111.454 -178.464 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -69.19 -30.29 68.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.054 0.454 . . . . 0.0 110.031 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -80.61 -30.14 36.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.433 ' O ' ' HA ' ' A' ' 40' ' ' TRP . . . -61.0 -32.37 71.95 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.64 171.454 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -64.67 -48.28 75.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.853 178.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.3 m -64.58 -40.01 94.77 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.53 177.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.427 ' HG2' ' HE2' ' A' ' 31' ' ' TYR . 5.9 tp-100 -59.92 -45.5 92.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.177 177.217 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.506 ' HA3' ' O ' ' A' ' 40' ' ' TRP . . . -61.09 -33.14 83.0 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.104 178.135 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -63.1 -46.46 87.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 177.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -70.99 -21.3 62.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.311 0.577 . . . . 0.0 109.942 176.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.59 -20.54 53.82 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.877 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.93 -12.38 81.28 Favored Glycine 0 N--CA 1.442 -0.916 0 C-N-CA 120.342 -0.932 . . . . 0.0 111.404 173.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mt -100.22 -54.33 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.723 0.773 . . . . 0.0 109.169 177.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -100.52 -34.91 9.72 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.437 -1.256 . . . . 0.0 112.293 -174.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.58 -19.53 73.46 Favored Glycine 0 CA--C 1.509 -0.311 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.16 -169.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 24' ' ' ARG . 19.5 ttm-85 67.31 -67.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 123.645 0.778 . . . . 0.0 112.671 179.241 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.7 m -110.22 173.99 6.07 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -169.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -78.47 -14.37 59.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.692 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -57.27 -21.64 35.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.833 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.624 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -89.35 26.94 1.54 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.151 -173.295 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 47.2 t -107.51 88.52 4.21 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 111.201 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.624 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 31.2 Cg_endo -99.14 32.75 0.11 Allowed 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 123.519 2.812 . . . . 0.0 114.284 -178.336 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.427 ' HE2' ' HG2' ' A' ' 15' ' ' GLN . 33.0 m-85 -109.05 -36.73 6.0 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -174.616 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.709 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 5.6 tp60 -179.62 177.24 0.73 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 -174.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.439 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 30.4 mm-40 -101.02 -77.04 0.55 Allowed 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 118.732 0.696 . . . . 0.0 112.328 176.356 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.6 t -66.13 -54.95 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.141 0.495 . . . . 0.0 111.424 -172.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.401 ' HB3' HD11 ' A' ' 9' ' ' LEU . 12.5 m-20 -68.77 -39.64 80.14 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.838 -174.353 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.709 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -63.45 -46.98 83.77 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 114.944 -1.026 . . . . 0.0 110.617 179.052 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -60.17 -36.93 78.7 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.006 -176.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.0 p -70.64 -31.39 68.31 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.248 -177.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -96.08 -55.75 2.87 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.386 -0.526 . . . . 0.0 112.176 178.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.506 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 85.6 t90 -59.84 -50.76 72.52 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 123.135 0.574 . . . . 0.0 110.953 -176.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.536 HD23 ' HG3' ' A' ' 45' ' ' ARG . 1.4 tt -76.13 -15.44 60.08 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -176.574 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.51 -44.31 97.77 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 173.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.23 -31.29 57.54 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.788 175.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -58.57 -52.24 66.48 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.025 0.441 . . . . 0.0 110.305 177.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.536 ' HG3' HD23 ' A' ' 41' ' ' LEU . 37.2 mtp-105 -61.55 -44.12 97.62 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.386 175.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -53.39 -48.21 68.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.952 -176.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.559 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 178.654 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 . . . . . 0 C--O 1.226 -0.153 0 N-CA-C 110.683 -0.117 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.499 ' O ' ' HD3' ' A' ' 11' ' ' ARG . 10.8 t70 -44.72 -58.88 2.79 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.658 0.599 . . . . 0.0 111.672 -175.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.7 ptp85 -63.2 -30.59 71.71 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.68 -174.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.498 HD11 ' HB3' ' A' ' 35' ' ' ASP . 96.6 mt -84.38 -31.37 24.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.815 0.34 . . . . 0.0 110.725 -178.453 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -62.51 -32.65 73.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 122.019 0.914 . . . . 0.0 109.408 173.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.499 ' HD3' ' O ' ' A' ' 7' ' ' ASP . 10.0 mpt_? -85.06 -42.14 15.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.794 -1.093 . . . . 0.0 109.447 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -56.64 -36.61 69.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.999 176.192 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -68.73 -42.64 77.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.199 0.523 . . . . 0.0 110.301 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.1 m -71.77 -38.79 70.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.424 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.0 -48.74 67.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.314 177.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.88 -38.1 87.34 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.651 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -60.27 -51.99 67.17 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 177.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.56 -33.23 75.15 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.58 -17.63 64.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 177.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.401 ' HA3' ' HB3' ' A' ' 47' ' ' ALA . . . -71.58 -41.45 57.39 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.354 174.375 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -84.34 -47.02 11.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.091 0.472 . . . . 0.0 110.484 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -97.35 -38.08 9.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.693 -173.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.48 -21.17 70.18 Favored Glycine 0 C--O 1.233 0.089 0 C-N-CA 120.393 -0.908 . . . . 0.0 111.847 -173.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 69.24 -61.1 0.44 Allowed 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 123.993 0.917 . . . . 0.0 112.459 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.4 m -106.42 169.3 8.6 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.182 0.515 . . . . 0.0 112.296 -171.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.403 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 38.0 mt-30 -81.38 -10.28 59.57 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.663 176.506 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -63.97 -14.39 53.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.802 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.642 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -88.99 21.64 3.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.118 -175.543 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.3 t -100.9 96.62 5.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 111.091 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.642 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 28.0 Cg_endo -96.52 18.41 0.59 Allowed 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 123.287 2.658 . . . . 0.0 113.794 179.393 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -96.76 -83.57 0.38 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -173.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.792 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 63.4 tt0 -138.34 177.85 7.57 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -171.155 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.528 ' O ' ' HB2' ' A' ' 37' ' ' ARG . 36.7 tt0 -99.7 -75.7 0.56 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -175.328 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.6 t -75.35 -52.87 17.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.314 0.578 . . . . 0.0 111.164 -172.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.498 ' HB3' HD11 ' A' ' 9' ' ' LEU . 29.5 m-20 -67.63 -41.92 83.14 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.308 -174.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.792 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -64.08 -31.19 72.29 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.821 177.055 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.528 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 49.8 ttt180 -61.15 -47.29 86.88 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.6 m -69.48 -32.26 71.04 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.447 -177.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.472 ' CG ' ' HB3' ' A' ' 9' ' ' LEU . 47.7 m-85 -92.21 -56.1 3.18 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -177.545 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.435 ' HB2' ' HB1' ' A' ' 12' ' ' ALA . 65.4 t90 -65.62 -52.53 51.18 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.65 -177.086 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 tt -72.62 -26.9 61.85 Favored 'General case' 0 C--N 1.334 -0.067 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -176.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.27 -46.4 94.35 Favored Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 174.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.75 -35.97 61.94 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.991 -0.623 . . . . 0.0 111.817 176.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -59.02 -50.06 75.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.979 0.419 . . . . 0.0 110.248 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -24.74 62.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.094 -178.516 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.49 -50.76 66.15 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 174.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.401 ' HB3' ' HA3' ' A' ' 20' ' ' GLY . . . . . . . . 0 C--O 1.237 0.434 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.491 176.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 54.1 ttm-85 . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.721 0.296 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.61 -49.35 75.21 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.847 0.832 . . . . 0.0 110.029 176.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -60.99 -35.73 77.6 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.087 -1.415 . . . . 0.0 111.089 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.422 ' CD1' ' HB3' ' A' ' 35' ' ' ASP . 43.2 mt -88.51 -30.97 18.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.095 -175.707 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -69.77 -26.72 64.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.613 0.72 . . . . 0.0 109.319 176.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.5 ttm105 -79.46 -36.06 39.4 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 174.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.41 ' HA ' ' HB3' ' A' ' 15' ' ' GLN . . . -61.8 -29.56 70.23 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.358 173.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -68.84 -45.97 69.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.429 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.2 t -68.96 -36.96 78.52 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 176.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.41 ' HB3' ' HA ' ' A' ' 12' ' ' ALA . 7.0 tp60 -60.32 -43.54 96.28 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.764 175.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 40' ' ' TRP . . . -65.32 -36.87 93.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.345 -0.455 . . . . 0.0 112.347 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -57.63 -51.48 69.35 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.433 ' HA ' HD23 ' A' ' 21' ' ' LEU . 18.5 tptm -70.8 -25.99 63.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.273 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.457 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -67.78 -18.59 64.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.162 0.506 . . . . 0.0 110.37 177.644 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.37 -33.77 83.07 Favored Glycine 0 N--CA 1.438 -1.201 0 C-N-CA 120.438 -0.887 . . . . 0.0 111.501 172.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 18' ' ' LYS . 1.1 mm? -91.3 -45.33 8.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.321 0.581 . . . . 0.0 110.031 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -98.04 -40.13 8.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.798 -171.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.457 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -82.43 -12.48 80.37 Favored Glycine 0 C--O 1.23 -0.125 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.629 -169.061 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.2 ttm-85 68.58 -76.32 0.06 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.196 0.599 . . . . 0.0 112.143 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.2 m -113.08 176.24 5.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.023 0.439 . . . . 0.0 111.9 -171.064 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.498 ' HG2' HD21 ' A' ' 41' ' ' LEU . 52.2 mt-30 -76.36 -20.85 56.8 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.042 177.69 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -60.0 -22.62 62.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.918 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.533 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -84.54 28.4 0.66 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.671 -176.433 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 53.7 t -107.55 93.19 9.62 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.768 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.533 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 63.4 Cg_endo -92.34 57.9 0.69 Allowed 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 123.205 2.604 . . . . 0.0 112.554 178.073 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -132.01 -71.62 0.54 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.507 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 6.4 tp-100 -156.13 179.21 9.44 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -174.109 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.408 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 99.6 mt-30 -100.08 -77.15 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 176.441 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 46.2 t -68.65 -50.13 58.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.221 0.534 . . . . 0.0 111.128 -173.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.422 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 5.7 m-20 -64.01 -40.87 97.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.638 0.733 . . . . 0.0 109.73 -177.727 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.507 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -70.4 -34.35 72.44 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.954 -179.124 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.685 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 17.9 ttt180 -56.5 -49.52 74.47 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 176.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.9 m -67.12 -39.07 86.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.059 -173.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -93.71 -57.88 2.43 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -176.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.443 ' CZ3' ' HA ' ' A' ' 26' ' ' GLN . 83.8 t90 -63.74 -43.63 95.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.712 -175.497 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.685 ' HB2' ' O ' ' A' ' 37' ' ' ARG . 17.2 mt -78.68 -17.88 55.26 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.909 -178.61 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.62 -46.29 94.03 Favored Glycine 0 N--CA 1.44 -1.084 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.571 176.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.99 -34.61 55.4 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.828 176.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -62.08 -49.57 75.41 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.928 0.394 . . . . 0.0 110.694 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -71.48 -29.21 64.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.166 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.27 -47.99 74.78 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.064 -0.346 . . . . 0.0 110.064 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.375 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.284 176.965 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? . . . . . 0 C--O 1.226 -0.151 0 CA-C-O 120.716 0.293 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -54.28 -73.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.288 -174.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 8' ' ' ARG . 20.3 ptt-85 -69.7 -19.64 63.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.06 0.457 . . . . 0.0 111.056 -174.402 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 35' ' ' ASP . 42.0 mt -77.91 -41.33 36.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.456 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.486 ' O ' ' HB3' ' A' ' 13' ' ' GLN . 42.6 tt0 -67.51 -28.48 67.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.489 0.661 . . . . 0.0 110.151 178.028 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -76.48 -33.05 58.68 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.451 176.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.88 -28.07 68.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.271 171.011 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.486 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 32.3 tt0 -64.03 -49.73 71.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.682 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.2 m -69.0 -33.86 74.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.397 176.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -63.73 -43.37 96.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.459 177.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 40' ' ' TRP . . . -59.77 -41.01 97.38 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.829 -179.281 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -58.85 -52.62 64.95 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -59.62 -39.03 82.93 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.62 177.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.12 -19.82 65.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.521 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.97 -33.08 65.7 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.401 -0.904 . . . . 0.0 112.139 174.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -92.33 -38.97 11.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.552 0.692 . . . . 0.0 110.287 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -94.62 -43.51 8.26 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.878 -171.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.14 -17.05 58.3 Favored Glycine 0 CA--C 1.506 -0.501 0 C-N-CA 120.114 -1.041 . . . . 0.0 111.073 -175.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.2 ttp-105 68.1 -57.8 0.47 Allowed 'General case' 0 CA--C 1.537 0.444 0 O-C-N 124.568 0.805 . . . . 0.0 112.402 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.3 m -102.28 175.82 5.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.105 0.479 . . . . 0.0 111.863 -175.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -86.19 -8.42 57.82 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.664 0.745 . . . . 0.0 109.396 176.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -69.58 -6.54 31.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.578 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.653 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -88.29 14.36 9.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.549 -178.297 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 41.4 t -97.52 100.3 7.91 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.661 0.267 . . . . 0.0 111.156 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.653 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 29.6 Cg_endo -95.07 14.91 1.18 Allowed 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 123.417 2.745 . . . . 0.0 113.529 176.294 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -92.1 -90.44 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -172.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.545 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 48.3 tt0 -139.21 -177.68 5.02 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -173.131 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -100.95 -77.52 0.54 Allowed 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 88.3 t -65.06 -54.73 25.95 Favored 'Isoleucine or valine' 0 C--O 1.241 0.65 0 CA-C-O 121.373 0.606 . . . . 0.0 111.196 -172.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.459 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 6.2 m-20 -66.07 -43.75 86.47 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.677 -176.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.545 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -64.27 -40.44 95.99 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.391 -178.05 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.43 ' HA ' ' HB2' ' A' ' 41' ' ' LEU . 42.7 mtm105 -57.61 -41.52 81.42 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.446 176.239 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.2 m -65.62 -32.47 74.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.828 -175.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -99.97 -59.73 1.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.109 0.48 . . . . 0.0 112.036 -178.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.415 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 80.1 t90 -66.03 -47.7 73.53 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.205 -175.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.43 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -76.49 -25.46 54.28 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -175.917 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.81 -44.4 98.06 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 174.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.38 -39.3 61.83 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.849 177.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 78.7 t90 -57.51 -52.27 66.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.296 0.569 . . . . 0.0 110.38 178.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -31.59 71.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.524 -177.617 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -68.03 -43.61 78.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.394 -177.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.567 0 CA-C-O 121.51 0.671 . . . . 0.0 110.06 175.235 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 6' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.886 0.375 . . . . 0.0 110.089 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.567 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 1.4 m-20 -57.87 -56.16 25.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.634 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -63.58 -28.1 69.7 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.44 -178.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.531 HD11 ' HB3' ' A' ' 35' ' ' ASP . 98.0 mt -77.27 -37.28 53.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.493 -178.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -69.82 -28.58 65.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.521 0.676 . . . . 0.0 109.543 177.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' A' ' 7' ' ' ASP . 96.5 mtt180 -72.84 -41.51 64.75 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 174.354 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.574 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -62.77 -29.26 70.57 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.095 174.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -68.79 -42.59 77.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.285 0.564 . . . . 0.0 109.581 178.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.5 t -71.21 -44.42 65.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.97 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -61.73 -44.19 97.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.68 178.384 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.89 -37.02 83.03 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.019 178.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.402 ' CD1' ' HB2' ' A' ' 47' ' ' ALA . 73.7 t80 -58.53 -52.74 64.36 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 176.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.576 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 83.1 tttt -65.74 -31.31 72.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.929 0.395 . . . . 0.0 110.485 177.68 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.401 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -66.26 -22.39 66.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.296 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.1 -31.32 77.4 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.204 176.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -99.82 -49.23 4.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.118 0.485 . . . . 0.0 110.923 178.374 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -101.0 -25.56 14.02 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.656 -170.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.401 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -81.63 -15.54 75.55 Favored Glycine 0 CA--C 1.505 -0.591 0 C-N-CA 120.055 -1.069 . . . . 0.0 110.776 -178.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.3 mtp85 59.07 -70.64 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.7 m -106.45 163.48 12.83 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.21 0.528 . . . . 0.0 112.144 -171.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.417 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 39.1 mt-30 -74.95 -8.68 57.19 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.064 176.019 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -60.16 -23.6 64.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.394 176.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.643 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -87.22 31.24 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.048 -173.255 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.5 t -104.51 90.87 3.59 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-O 120.846 0.355 . . . . 0.0 110.786 178.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.643 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 40.4 Cg_endo -96.45 -8.36 1.06 Allowed 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.065 2.51 . . . . 0.0 115.113 -177.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -76.3 -45.22 33.45 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 -169.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.707 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 38.0 tp60 -160.31 176.98 11.09 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -177.055 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.43 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 26.0 tp60 -101.22 -75.25 0.59 Allowed 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.116 -0.634 . . . . 0.0 112.039 176.605 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.6 t -74.74 -50.53 25.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 CA-C-O 121.429 0.633 . . . . 0.0 110.618 -174.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.618 ' HB2' ' HG2' ' A' ' 32' ' ' GLN . 7.0 m-20 -63.07 -37.29 86.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.139 -177.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.707 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -72.01 -28.8 63.62 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.886 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 37' ' ' ARG . 22.5 ttt180 -59.24 -51.35 70.35 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.308 -0.557 . . . . 0.0 109.857 178.124 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.3 m -69.16 -32.99 72.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.047 -176.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.434 ' CG ' ' HB3' ' A' ' 9' ' ' LEU . 43.6 m-85 -87.65 -63.67 1.27 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -178.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.574 ' HB2' ' HB1' ' A' ' 12' ' ' ALA . 80.0 t90 -64.49 -47.48 78.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.238 -174.517 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 tt -72.95 -25.14 60.92 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -176.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.98 -40.15 95.16 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.462 174.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.91 -33.75 59.61 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.486 174.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 82.3 t90 -59.98 -53.97 51.6 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 177.384 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -64.61 -28.29 69.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.162 178.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -58.13 -61.61 2.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.182 0.515 . . . . 0.0 109.837 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.402 ' HB2' ' CD1' ' A' ' 17' ' ' TYR . . . . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.993 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 pmm? . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 121.182 0.515 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -152.76 -41.27 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.244 0.545 . . . . 0.0 110.105 -175.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -90.95 47.33 1.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.878 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.5 ' HA ' ' OD2' ' A' ' 7' ' ' ASP . 49.9 mt-30 -85.13 8.34 18.49 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -173.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -70.88 -47.87 56.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.947 0.403 . . . . 0.0 110.081 175.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.7 ttp-105 -75.4 -36.84 60.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.92 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.5 ' OD2' ' HA ' ' A' ' 4' ' ' GLN . 44.0 m-20 -48.18 -62.22 1.59 Allowed 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -172.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -68.33 -19.76 64.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.738 0.304 . . . . 0.0 111.259 -172.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.401 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 96.1 mt -89.76 -34.75 16.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.987 0.422 . . . . 0.0 110.581 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.42 -34.86 73.01 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.119 177.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.4 mtm-85 -91.92 -26.58 18.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.441 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 9' ' ' LEU . . . -63.28 -30.93 71.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.848 171.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -60.02 -42.74 95.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.281 178.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.3 m -79.2 -39.21 33.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.558 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.643 ' HG2' ' HE2' ' A' ' 31' ' ' TYR . 5.8 tp-100 -60.68 -43.36 97.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.72 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.99 -40.36 98.36 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.159 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -60.44 -49.75 76.34 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -63.01 -36.34 83.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.449 178.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.15 -21.92 66.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.969 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.78 -43.23 92.19 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.523 -0.846 . . . . 0.0 111.903 174.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -85.58 -48.38 8.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.227 0.537 . . . . 0.0 110.787 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -98.22 -37.48 9.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.572 -172.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.39 -10.72 83.15 Favored Glycine 0 CA--C 1.51 -0.243 0 C-N-CA 120.285 -0.96 . . . . 0.0 112.451 -169.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 64.93 -64.52 0.16 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.791 0.836 . . . . 0.0 112.656 -177.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.6 m -120.01 176.65 5.32 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -166.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.548 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 37.8 mt-30 -85.56 -5.92 59.23 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.939 178.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -62.96 -21.13 65.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.212 -0.903 . . . . 0.0 110.048 177.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.696 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -101.09 40.28 1.3 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.542 -175.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.1 p -106.67 81.95 0.96 Allowed Pre-proline 0 CA--C 1.543 0.71 0 CA-C-O 121.093 0.473 . . . . 0.0 110.749 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.696 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 48.0 Cg_endo -97.41 41.97 0.1 Allowed 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 123.24 2.627 . . . . 0.0 114.107 -170.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.643 ' HE2' ' HG2' ' A' ' 15' ' ' GLN . 96.9 m-85 -119.36 -105.9 0.38 Allowed 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.73 178.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.57 ' HG2' ' HB2' ' A' ' 35' ' ' ASP . 41.0 tp60 -93.52 177.96 5.86 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 176.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.414 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 76.8 mt-30 -101.62 -75.36 0.59 Allowed 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.93 -0.481 . . . . 0.0 111.176 174.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.512 ' O ' ' HB3' ' A' ' 37' ' ' ARG . 58.5 t -70.51 -46.98 67.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-O 121.5 0.667 . . . . 0.0 111.645 -174.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.57 ' HB2' ' HG2' ' A' ' 32' ' ' GLN . 8.3 m-20 -69.92 -25.99 63.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.934 -178.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 40' ' ' TRP . . . -78.66 -25.03 44.86 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.046 177.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.512 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 22.8 ttt85 -59.09 -53.84 53.79 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 171.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.2 p -70.55 -24.34 62.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.615 -175.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -96.95 -69.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.027 0.442 . . . . 0.0 112.032 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.548 ' CH2' ' HA ' ' A' ' 26' ' ' GLN . 68.4 t90 -61.21 -45.01 96.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.336 -175.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.441 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 0.5 OUTLIER -76.07 -21.78 56.35 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-O 121.197 0.523 . . . . 0.0 110.035 -175.164 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.29 -47.81 61.82 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.27 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.89 -34.21 71.25 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.656 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.561 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 84.5 t90 -58.06 -53.82 53.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.882 0.372 . . . . 0.0 110.52 178.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 49.2 mtm105 -63.36 -36.62 84.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.094 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -66.31 -50.45 63.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.807 -177.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.39 -48.45 76.88 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.27 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.561 ' HG3' ' O ' ' A' ' 44' ' ' TRP . 28.5 mtp180 -61.25 -51.95 66.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.607 -178.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.511 ' HA ' ' HB3' ' A' ' 52' ' ' GLN . 12.9 t70 -69.95 -15.2 63.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.911 0.386 . . . . 0.0 111.538 -174.083 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -80.44 -40.43 26.34 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -83.16 -16.43 46.72 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.511 ' HB3' ' HA ' ' A' ' 49' ' ' ASP . 6.4 tp60 -78.58 -36.01 45.02 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 113.988 -1.46 . . . . 0.0 110.139 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.8 p -68.74 -25.2 64.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.597 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -67.32 -26.2 73.53 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.973 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.57 49.35 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.887 0.375 . . . . 0.0 110.583 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -77.49 68.68 3.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.617 0.722 . . . . 0.0 109.793 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -86.64 -54.12 4.57 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.312 -0.858 . . . . 0.0 108.863 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 24.5 mt -95.78 156.63 16.25 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.919 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.22 -19.16 32.09 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.249 0.547 . . . . 0.0 109.788 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.61 -175.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.668 0.27 . . . . 0.0 111.554 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -112.42 -5.01 14.12 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -171.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.446 ' HA ' ' HD3' ' A' ' 3' ' ' ARG . 6.4 mmt180 -119.0 -14.39 9.37 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 178.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 52.38 34.88 15.95 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.82 0.343 . . . . 0.0 111.345 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -61.23 -43.34 99.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.751 -175.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 33.0 ttt180 -66.99 -36.83 83.04 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.017 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -58.13 -52.18 66.62 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 122.183 0.992 . . . . 0.0 110.077 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -64.36 -39.49 93.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.143 -1.389 . . . . 0.0 110.941 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.501 ' CD2' ' HA ' ' A' ' 36' ' ' ALA . 79.5 mt -78.98 -22.74 45.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.365 -178.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 5.1 tp10 -60.18 -38.91 84.7 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 172.257 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -75.76 -41.23 53.76 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 114.502 -1.226 . . . . 0.0 109.485 177.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' A' ' 9' ' ' LEU . . . -55.82 -33.98 64.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.873 175.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -73.37 -45.76 53.06 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.819 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -70.41 -37.7 74.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.863 0.363 . . . . 0.0 110.339 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -73.0 -29.26 62.89 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.38 -45.83 95.45 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.423 ' CD2' ' HB2' ' A' ' 47' ' ' ALA . 45.5 t80 -56.6 -50.45 71.94 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 175.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -61.95 -35.23 77.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.869 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.54 -20.27 66.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.15 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.63 84.83 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.062 -1.066 . . . . 0.0 111.549 171.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -91.85 -39.01 11.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.554 0.693 . . . . 0.0 109.845 178.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.0 -46.64 11.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.932 -1.031 . . . . 0.0 112.504 -173.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.09 -29.62 6.72 Favored Glycine 0 CA--C 1.51 -0.256 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.666 -170.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 73.4 -43.26 0.55 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.753 0.821 . . . . 0.0 112.64 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 62.5 m -104.91 164.48 11.76 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.981 0.42 . . . . 0.0 111.924 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -77.43 -17.01 58.5 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.108 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -68.51 -3.37 11.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.82 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.596 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -88.01 20.3 3.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.545 177.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 48.5 t -102.12 92.16 2.94 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.139 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.596 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 83.2 Cg_endo -85.81 -14.26 5.39 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.071 2.514 . . . . 0.0 114.668 -175.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.417 ' HE2' ' CD1' ' A' ' 40' ' ' TRP . 2.5 m-85 -70.18 -71.32 0.25 Allowed 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.826 0.822 . . . . 0.0 111.507 -172.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.576 ' HG2' ' H ' ' A' ' 33' ' ' GLN . 43.9 tt0 -149.41 179.62 7.81 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 -176.284 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.576 ' H ' ' HG2' ' A' ' 32' ' ' GLN . 80.3 mt-30 -98.17 -75.79 0.54 Allowed 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 120.084 -0.646 . . . . 0.0 112.072 173.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 76.9 t -59.79 -58.68 6.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -169.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -70.18 -44.0 69.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.734 0.778 . . . . 0.0 109.362 -174.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.501 ' HA ' ' CD2' ' A' ' 9' ' ' LEU . . . -53.58 -53.21 55.04 Favored 'General case' 0 C--O 1.213 -0.848 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.858 177.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -66.06 -22.24 66.41 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -177.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.5 m -67.87 -32.72 73.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.119 0.485 . . . . 0.0 109.799 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -95.91 -50.29 4.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.345 0.593 . . . . 0.0 111.911 174.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.417 ' CD1' ' HE2' ' A' ' 31' ' ' TYR . 72.7 t90 -69.14 -53.15 21.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.536 -171.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.463 HD23 ' O ' ' A' ' 41' ' ' LEU . 2.6 tt -67.08 -33.27 75.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.734 0.302 . . . . 0.0 110.686 -171.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.11 -47.54 90.3 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.772 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.01 -34.17 65.09 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.69 -0.766 . . . . 0.0 111.645 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -58.25 -53.9 53.04 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.673 0.273 . . . . 0.0 111.169 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 50.2 ttp85 -66.99 -36.9 83.2 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -176.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 50' ' ' GLU . 36.7 t70 -59.05 -47.73 84.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.684 -179.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.423 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . . . -62.79 -52.51 62.88 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.078 178.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.595 ' O ' ' HB2' ' A' ' 52' ' ' GLN . 79.8 ttt180 -57.97 -47.24 83.54 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.495 -177.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.538 ' HA ' ' HB3' ' A' ' 52' ' ' GLN . 15.9 t70 -73.85 -16.89 61.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.818 0.342 . . . . 0.0 111.351 -177.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 24.9 tt0 -75.35 -38.52 60.07 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 -175.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -90.09 -18.65 25.49 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 178.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.595 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 42.9 tp60 -71.59 -54.15 11.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.471 -1.241 . . . . 0.0 109.593 178.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.8 m -79.19 -8.13 58.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.671 178.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -67.76 -24.39 74.15 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 121.057 -0.592 . . . . 0.0 111.763 177.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 91.7 mt 62.13 67.86 0.71 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.198 0.523 . . . . 0.0 111.915 175.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -86.4 15.08 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.855 174.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.3 mttm 77.75 86.07 0.07 Allowed 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.824 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.16 -41.77 81.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.201 -1.363 . . . . 0.0 110.05 176.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -70.77 133.65 46.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.531 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 29.6 m170 . . . . . 0 C--N 1.322 -0.606 0 CA-C-O 121.532 0.682 . . . . 0.0 112.299 -174.114 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -78.29 88.76 4.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.305 0.574 . . . . 0.0 111.623 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -157.91 39.19 0.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 171.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -76.27 -174.4 2.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.385 -174.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.9 mptm? -66.54 -68.07 0.4 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.695 170.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -54.82 -34.44 62.79 Favored 'General case' 0 C--O 1.222 -0.364 0 O-C-N 123.581 0.55 . . . . 0.0 110.796 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -54.59 -67.29 0.28 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.574 0.702 . . . . 0.0 111.615 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.6 ptt-85 -79.46 -10.56 59.83 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.955 -173.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.566 HD11 ' HB3' ' A' ' 35' ' ' ASP . 64.2 mt -82.23 -33.56 29.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.022 0.439 . . . . 0.0 110.099 172.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -60.66 -38.98 86.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.619 173.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -85.74 -30.25 23.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.689 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.601 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -60.48 -32.88 71.84 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.436 172.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -62.4 -47.52 83.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.469 0.652 . . . . 0.0 109.633 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.5 m -71.24 -41.98 69.43 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.051 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.77 ' HG2' ' HE2' ' A' ' 31' ' ' TYR . 6.9 tp60 -61.62 -42.49 98.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.53 177.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.48 -43.66 95.79 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.573 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.423 ' CD1' ' HB2' ' A' ' 47' ' ' ALA . 69.3 t80 -63.93 -39.3 93.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.132 0.491 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 70.8 tttt -74.59 -17.62 60.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.193 0.521 . . . . 0.0 110.105 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.41 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -85.28 -24.23 27.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.429 -175.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.18 -35.92 92.24 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 119.912 -1.137 . . . . 0.0 110.975 172.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.484 ' CD2' ' HB1' ' A' ' 47' ' ' ALA . 0.3 OUTLIER -83.61 -55.53 4.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.446 0.641 . . . . 0.0 109.603 178.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 33.7 m-80 -94.41 -36.8 11.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.027 -0.988 . . . . 0.0 113.08 -170.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.41 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -80.5 -21.69 63.85 Favored Glycine 0 CA--C 1.511 -0.189 0 C-N-CA 120.226 -0.988 . . . . 0.0 111.759 -171.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 60.68 -63.24 0.07 Allowed 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.791 1.236 . . . . 0.0 113.297 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 m -99.45 167.77 10.41 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.087 0.47 . . . . 0.0 111.478 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.407 ' C ' ' H ' ' A' ' 28' ' ' ALA . 12.5 mt-30 -78.99 -12.97 60.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.927 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -77.51 14.7 0.93 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.428 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.598 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -108.45 24.29 13.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.289 177.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.8 t -102.9 94.46 5.34 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.442 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.598 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 42.8 Cg_endo -93.33 26.15 0.38 Allowed 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 123.497 2.798 . . . . 0.0 113.646 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.77 ' HE2' ' HG2' ' A' ' 15' ' ' GLN . 89.6 m-85 -108.92 -46.03 3.69 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -175.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.594 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 6.5 tp60 -176.77 175.76 1.6 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -173.1 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.477 ' O ' ' HB2' ' A' ' 37' ' ' ARG . 49.5 mt-30 -101.08 -73.89 0.63 Allowed 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 174.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.4 t -71.57 -48.22 53.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 121.103 0.478 . . . . 0.0 111.24 -173.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.574 ' HB2' ' HG2' ' A' ' 32' ' ' GLN . 5.9 m-20 -67.27 -38.61 85.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.829 0.823 . . . . 0.0 109.402 -178.137 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.594 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -72.03 -26.17 62.09 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.6 178.032 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 19.4 ttt180 -61.97 -50.22 72.96 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.119 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.2 p -71.06 -29.79 65.77 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.716 -175.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -95.29 -63.58 1.15 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.57 -0.452 . . . . 0.0 112.128 178.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.601 ' HB2' ' HB1' ' A' ' 12' ' ' ALA . 85.1 t90 -64.68 -45.97 84.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.534 -174.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 tt -75.67 -25.8 57.08 Favored 'General case' 0 C--N 1.334 -0.07 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -173.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.14 -48.9 75.89 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.603 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.87 -35.02 72.13 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.489 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -57.21 -50.67 72.14 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 176.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.428 ' HD3' ' O ' ' A' ' 45' ' ' ARG . 2.7 tmt_? -58.72 -45.08 90.39 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.511 -177.188 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -55.58 -58.95 5.66 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.511 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.484 ' HB1' ' CD2' ' A' ' 21' ' ' LEU . . . -63.01 -42.21 99.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.674 -178.178 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.44 ' O ' ' HB2' ' A' ' 52' ' ' GLN . 23.9 tpt85 -54.37 -54.09 45.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.013 -178.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.436 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 30.8 t70 -81.91 -10.61 59.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.851 0.358 . . . . 0.0 111.766 -175.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -85.84 -26.51 25.65 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -86.9 -19.74 28.41 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 174.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.44 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 18.2 tm0? -83.04 -61.92 1.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.003 -1.453 . . . . 0.0 110.477 -179.148 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.666 ' HA ' ' HB2' ' A' ' 56' ' ' TYR . 66.6 m -77.18 -20.13 55.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.48 -177.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.28 -46.5 94.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.955 -0.64 . . . . 0.0 111.96 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -113.28 34.24 4.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.784 0.326 . . . . 0.0 110.236 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.666 ' HB2' ' HA ' ' A' ' 53' ' ' SER . 61.5 t80 -72.94 65.69 0.75 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.46 0.648 . . . . 0.0 110.301 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -107.05 8.98 30.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.394 0.616 . . . . 0.0 109.951 176.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.507 HD23 ' H ' ' A' ' 58' ' ' LEU . 0.4 OUTLIER -72.19 172.07 10.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.783 174.322 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 71.97 0.77 3.66 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.68 0.752 . . . . 0.0 110.1 -173.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 32.5 m80 . . . . . 0 N--CA 1.451 -0.395 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.184 175.939 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 120.925 0.393 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -82.32 113.4 20.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.218 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -81.49 70.69 8.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.886 0.851 . . . . 0.0 109.47 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.591 ' HA ' ' OD2' ' A' ' 7' ' ' ASP . 10.4 pt20 -69.04 12.42 0.15 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 113.972 -1.467 . . . . 0.0 113.115 -176.317 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -62.37 -45.45 93.11 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 172.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 ttp-105 -59.26 -39.7 83.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.41 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.591 ' OD2' ' HA ' ' A' ' 4' ' ' GLN . 13.8 m-20 -57.65 -57.15 13.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.787 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -70.9 -21.74 62.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.479 -177.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.5 mt -77.68 -41.5 37.85 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.463 0.171 . . . . 0.0 111.463 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -71.14 -22.12 62.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.239 0.542 . . . . 0.0 110.03 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -75.93 -40.09 54.87 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 174.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.74 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -64.16 -33.53 76.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.21 174.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -59.65 -48.25 82.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.478 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -74.85 -41.21 60.3 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.304 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -60.56 -40.93 93.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.412 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.23 -42.16 98.57 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.861 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -64.42 -37.95 89.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.095 0.474 . . . . 0.0 110.22 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -76.17 -23.72 54.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.029 0.442 . . . . 0.0 110.284 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.89 -20.3 42.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.713 -176.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.455 ' HA3' ' HB3' ' A' ' 47' ' ' ALA . . . -71.1 -20.39 77.92 Favored Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 119.904 -1.141 . . . . 0.0 111.213 173.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.454 ' HA ' ' HD2' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -100.69 -49.71 4.09 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.497 0.665 . . . . 0.0 109.644 178.441 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.23 -37.63 11.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.901 -1.045 . . . . 0.0 112.423 -174.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.06 -17.54 67.05 Favored Glycine 0 CA--C 1.51 -0.272 0 C-N-CA 120.208 -0.996 . . . . 0.0 112.251 -170.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 61.08 -68.51 0.05 OUTLIER 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.19 0.996 . . . . 0.0 113.36 -178.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.9 m -94.98 173.59 7.51 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.131 0.491 . . . . 0.0 111.34 -174.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.426 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 55.7 mt-30 -84.38 -9.48 58.39 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.605 0.717 . . . . 0.0 109.292 174.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -68.69 -10.02 53.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.004 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.568 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -86.08 16.97 3.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.492 -178.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.6 t -102.2 96.32 6.89 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.97 0.414 . . . . 0.0 110.995 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.568 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 58.4 Cg_endo -89.26 -2.73 6.08 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 122.787 2.324 . . . . 0.0 113.216 177.069 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -76.25 -62.5 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -171.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -167.65 -176.55 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 -176.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.597 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 83.7 mm-40 -102.51 -76.91 0.57 Allowed 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 178.1 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.4 t -61.31 -58.94 5.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.55 0.691 . . . . 0.0 111.634 -172.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -68.7 -33.2 73.55 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.446 -173.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.417 ' O ' ' HB3' ' A' ' 40' ' ' TRP . . . -71.78 -27.74 63.16 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.493 179.201 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.622 ' HA ' ' HB2' ' A' ' 41' ' ' LEU . 95.3 mtt180 -64.31 -46.34 83.98 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 119.873 -0.731 . . . . 0.0 110.036 175.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.3 m -64.32 -32.15 73.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.137 -177.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -94.81 -66.04 0.94 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.094 0.473 . . . . 0.0 111.963 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.74 ' HB2' ' HB1' ' A' ' 12' ' ' ALA . 77.3 t90 -65.31 -49.29 70.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.51 -175.121 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.622 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 1.2 tt -75.96 -31.76 59.2 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -171.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.84 -46.22 94.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.41 174.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.67 -35.21 73.69 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.711 175.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -59.35 -43.29 92.82 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 122.409 0.283 . . . . 0.0 110.661 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' ' 41' ' ' LEU . 62.4 mtp180 -69.09 -33.01 72.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.096 -179.051 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -68.82 -43.46 75.54 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.33 0.586 . . . . 0.0 109.677 175.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.455 ' HB3' ' HA3' ' A' ' 20' ' ' GLY . . . -60.93 -41.6 96.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.642 175.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' A' ' 52' ' ' GLN . 3.6 mmp_? -55.71 -47.81 76.22 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.605 173.022 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.29 -23.6 65.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.707 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -80.92 -35.34 32.55 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.577 0.703 . . . . 0.0 109.608 -177.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.454 ' HD2' ' HA ' ' A' ' 21' ' ' LEU . 29.5 mtpp -90.87 -10.66 41.81 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.501 ' HA ' ' OE1' ' A' ' 52' ' ' GLN . 5.8 tp60 -85.86 -34.62 20.96 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.183 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.1 m -67.54 -24.06 65.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.633 176.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.16 -16.04 63.55 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.426 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.7 mt 67.6 -59.99 0.4 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.254 1.022 . . . . 0.0 111.844 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -155.6 -60.72 0.11 Allowed 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.795 -173.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -159.41 72.72 0.55 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.162 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 72.1 mt -100.45 -163.46 1.03 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.538 174.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -68.68 131.18 44.77 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.417 175.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 121.511 0.672 . . . . 0.0 109.28 175.572 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.49 0.186 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 65.7 tttt 59.57 67.87 0.85 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.914 166.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -102.18 23.38 11.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.16 -178.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -92.65 87.15 5.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.845 0.355 . . . . 0.0 111.449 -178.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.412 ' HE2' ' HB3' ' A' ' 5' ' ' LYS . 49.1 mtpt -107.7 -58.66 1.94 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.54 0.686 . . . . 0.0 109.806 175.317 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -74.32 -28.84 61.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.141 -177.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -51.81 -60.16 3.49 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.063 178.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -69.34 -27.51 65.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.572 -176.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.2 mt -74.79 -38.53 62.11 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.969 -0.293 . . . . 0.0 111.46 -178.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 13' ' ' GLN . 43.5 tt0 -67.2 -29.76 69.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.67 0.748 . . . . 0.0 109.474 173.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -70.99 -39.56 72.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.187 -0.915 . . . . 0.0 108.829 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.51 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -63.95 -30.64 71.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.286 173.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.405 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 29.6 tt0 -63.69 -50.54 68.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.051 0.453 . . . . 0.0 109.977 177.503 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.3 m -65.5 -37.71 87.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.45 177.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -65.07 -43.26 92.81 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.783 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.3 -37.72 94.25 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 112.213 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -64.52 -40.73 96.17 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -69.12 -30.4 68.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.401 175.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.475 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -76.21 -22.72 54.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.496 -177.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.463 ' HA3' ' HB3' ' A' ' 47' ' ' ALA . . . -69.72 -22.83 76.93 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.395 -0.907 . . . . 0.0 111.664 174.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.413 ' CD2' ' HB1' ' A' ' 47' ' ' ALA . 0.2 OUTLIER -98.79 -47.41 5.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.363 0.601 . . . . 0.0 109.452 177.768 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -100.12 -37.69 8.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.926 -1.033 . . . . 0.0 112.849 -171.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -77.55 -22.12 70.7 Favored Glycine 0 CA--C 1.507 -0.453 0 C-N-CA 120.103 -1.046 . . . . 0.0 111.766 -171.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 66.24 -61.25 0.29 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.589 0.756 . . . . 0.0 112.7 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.6 m -105.17 172.61 6.7 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.005 0.431 . . . . 0.0 111.746 -174.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -81.17 -14.27 57.77 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-O 121.647 0.737 . . . . 0.0 109.221 175.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -58.17 -10.94 2.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.418 -1.264 . . . . 0.0 111.105 177.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.479 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -92.01 22.41 4.34 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.688 -177.088 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 47.4 t -108.81 90.46 7.6 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-O 120.946 0.403 . . . . 0.0 111.231 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.479 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 52.1 Cg_endo -91.14 16.81 1.51 Allowed 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 123.199 2.599 . . . . 0.0 113.861 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -100.73 -68.33 0.82 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.003 0.43 . . . . 0.0 112.149 -172.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.523 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 6.3 tp-100 -154.66 176.29 12.61 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -175.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.419 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 6.7 tp-100 -101.14 -76.01 0.57 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.905 176.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.9 t -63.97 -54.93 25.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 121.4 0.619 . . . . 0.0 111.373 -173.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.84 -42.64 99.82 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.845 0.831 . . . . 0.0 109.521 -177.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.523 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -70.67 -28.84 65.09 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.783 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.563 ' HA ' ' HB2' ' A' ' 41' ' ' LEU . 32.7 ttt85 -57.97 -49.08 78.03 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 174.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.6 t -63.86 -41.46 97.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.526 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -89.0 -60.75 1.87 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.51 ' HB2' ' HB1' ' A' ' 12' ' ' ALA . 73.9 t90 -70.6 -50.26 39.04 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.433 -174.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.563 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 2.1 tt -76.32 -34.07 59.02 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -170.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.84 -43.62 97.81 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.825 -0.703 . . . . 0.0 111.427 174.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.5 -36.03 82.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.87 177.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -57.14 -47.67 80.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.83 0.348 . . . . 0.0 110.547 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -66.88 -36.56 82.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.213 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -71.15 -40.65 71.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.851 0.358 . . . . 0.0 110.471 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.463 ' HB3' ' HA3' ' A' ' 20' ' ' GLY . . . -58.07 -40.83 82.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.818 177.214 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -54.66 -52.44 62.32 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.877 174.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.576 ' HA ' ' HB2' ' A' ' 52' ' ' GLN . 36.1 t70 -69.92 -13.67 62.36 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.824 -176.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -85.52 -28.9 24.63 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.788 0.804 . . . . 0.0 109.101 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -92.54 -16.11 26.13 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.576 ' HB2' ' HA ' ' A' ' 49' ' ' ASP . 10.6 mm100 -89.65 -24.1 21.72 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.332 -1.304 . . . . 0.0 111.624 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.0 p -77.35 -7.55 56.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.081 0.467 . . . . 0.0 111.031 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.1 -14.76 76.41 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.104 -0.57 . . . . 0.0 111.922 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.4 mp -90.95 -62.15 1.51 Allowed 'General case' 0 C--O 1.237 0.419 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.559 ' O ' ' HB2' ' A' ' 57' ' ' LYS . 66.8 t80 69.14 -64.58 0.33 Allowed 'General case' 0 CA--C 1.533 0.291 0 O-C-N 124.569 1.168 . . . . 0.0 110.144 -175.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.559 ' HB2' ' O ' ' A' ' 56' ' ' TYR . 39.1 ttmt 161.74 22.29 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.985 1.314 . . . . 0.0 109.408 177.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.2 mt -142.82 -38.45 0.35 Allowed 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 122.022 -0.424 . . . . 0.0 111.117 -172.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 66.15 88.72 0.1 Allowed 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.947 -173.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 . . . . . 0 C--N 1.323 -0.55 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.135 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.7 mtp . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.488 ' HB2' ' OD1' ' A' ' 7' ' ' ASP . 0.2 OUTLIER -71.28 154.2 41.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.91 0.386 . . . . 0.0 111.312 -174.264 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.619 ' HA ' ' NE ' ' A' ' 3' ' ' ARG . 3.1 mmp_? -137.2 26.29 2.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.724 174.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -79.95 -178.2 6.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.339 176.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -75.97 -38.4 57.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.497 0.665 . . . . 0.0 109.284 173.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 6' ' ' ARG . 23.1 ttt180 -69.09 -17.28 63.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.911 177.443 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.488 ' OD1' ' HB2' ' A' ' 2' ' ' LYS . 15.0 t70 -51.06 -59.98 3.59 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.7 0.762 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 49.7 ptt85 -71.5 -14.67 62.19 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.933 -174.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.541 HD21 ' OD1' ' A' ' 35' ' ' ASP . 57.9 mt -89.83 -49.12 6.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.534 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -66.72 -29.59 69.61 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.404 0.621 . . . . 0.0 109.726 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -84.54 -27.49 27.31 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.204 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -64.73 -33.06 75.07 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.063 0.458 . . . . 0.0 109.766 168.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -63.01 -41.52 99.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.063 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -81.49 -39.14 25.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.826 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.4 tm0? -71.44 -25.66 62.4 Favored 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.95 -37.38 94.2 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 173.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.549 ' CD1' ' HB2' ' A' ' 47' ' ' ALA . 64.8 t80 -63.52 -45.93 88.36 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 174.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -60.4 -35.52 75.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.277 174.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.11 -36.75 72.28 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.207 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.08 -29.85 75.77 Favored Glycine 0 C--N 1.315 -0.587 0 C-N-CA 120.126 -1.035 . . . . 0.0 111.83 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.651 HD13 ' HB1' ' A' ' 47' ' ' ALA . 2.0 mp -80.19 -52.65 7.49 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.538 0.685 . . . . 0.0 110.616 177.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -100.69 -41.83 6.76 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.768 -1.105 . . . . 0.0 112.274 -168.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.57 -20.92 59.14 Favored Glycine 0 CA--C 1.501 -0.785 0 C-N-CA 120.041 -1.076 . . . . 0.0 110.842 -169.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 64.58 -58.61 0.24 Allowed 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 114.366 -0.917 . . . . 0.0 112.734 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.0 m -94.56 175.45 6.67 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.071 0.462 . . . . 0.0 112.13 -170.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -85.71 -16.34 39.3 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.679 177.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -57.09 -18.77 15.94 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.769 177.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.471 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -82.21 20.02 1.1 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.09 -176.206 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.8 t -107.59 92.84 9.11 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 111.284 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.471 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 43.1 Cg_endo -92.33 41.77 0.31 Allowed 'Trans proline' 0 CA--C 1.533 0.461 0 C-N-CA 123.194 2.596 . . . . 0.0 113.091 176.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -113.14 -86.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -175.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.554 ' HG3' ' H ' ' A' ' 33' ' ' GLN . 51.0 tp60 -152.41 -178.16 6.66 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -170.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.554 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 53.0 tt0 -99.57 -76.24 0.55 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 118.367 0.531 . . . . 0.0 112.39 175.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 67.5 t -57.0 -62.07 1.03 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.834 0 CA-C-O 121.554 0.692 . . . . 0.0 112.012 -170.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.541 ' OD1' HD21 ' A' ' 9' ' ' LEU . 1.1 p30 -68.86 -34.4 75.39 Favored 'General case' 0 CA--C 1.497 -1.077 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.801 -173.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 32' ' ' GLN . . . -70.21 -33.15 71.33 Favored 'General case' 0 N--CA 1.427 -1.614 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.327 -175.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.592 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 89.2 mtt-85 -58.36 -47.85 82.47 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 173.08 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.1 t -64.64 -31.49 72.74 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.258 -174.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -100.76 -55.4 2.59 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -177.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -66.21 -42.18 89.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.232 -173.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.592 ' HB2' ' O ' ' A' ' 37' ' ' ARG . 23.5 mt -71.82 -22.3 61.57 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.963 -177.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.21 -47.56 63.62 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.286 -0.959 . . . . 0.0 111.275 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.65 -33.42 63.56 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.82 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -63.55 -50.77 68.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.432 0.158 . . . . 0.0 110.592 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 45' ' ' ARG . 46.3 mtm180 -64.07 -36.87 85.43 Favored 'General case' 0 CA--C 1.521 -0.172 0 C-N-CA 121.216 -0.194 . . . . 0.0 111.044 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.36 -58.62 7.72 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.651 ' HB1' HD13 ' A' ' 21' ' ' LEU . . . -60.03 -48.66 80.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.795 -179.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.518 ' O ' ' HB2' ' A' ' 52' ' ' GLN . 24.2 tpt180 -63.65 -51.09 66.68 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.136 -173.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.517 ' HA ' ' HB3' ' A' ' 52' ' ' GLN . 27.1 t70 -75.34 -17.28 60.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.933 0.397 . . . . 0.0 111.45 -174.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -79.24 -28.65 42.45 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.559 ' HG3' ' CB ' ' A' ' 56' ' ' TYR . 3.8 ttmp? -90.03 -18.52 25.8 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.184 -1.371 . . . . 0.0 108.244 176.188 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 41.4 tt0 -87.11 -75.39 0.4 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.479 -1.237 . . . . 0.0 112.036 -173.116 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.9 p -78.73 -23.46 45.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.142 -173.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.72 -14.95 80.37 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.385 -0.912 . . . . 0.0 111.348 177.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.3 mt 61.23 88.74 0.08 Allowed 'General case' 0 CA--C 1.522 -0.106 0 CA-C-O 121.275 0.559 . . . . 0.0 110.825 -177.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.559 ' CB ' ' HG3' ' A' ' 51' ' ' LYS . 66.5 t80 -57.78 -21.53 42.17 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.336 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.502 ' HB3' ' O ' ' A' ' 56' ' ' TYR . 24.6 tptm 73.8 79.42 0.13 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.685 0.755 . . . . 0.0 109.289 -175.081 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.418 ' N ' HD12 ' A' ' 58' ' ' LEU . 4.6 mp -94.74 159.93 14.84 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.269 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -162.09 101.89 1.12 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.26 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 53.3 m-70 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.904 178.419 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.4 ttp . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 120.669 0.271 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.16 154.63 37.19 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 175.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.6 mtp-105 -100.02 -62.93 1.18 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.118 0.485 . . . . 0.0 110.358 176.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.556 ' HB2' ' HB2' ' A' ' 7' ' ' ASP . 20.3 pt20 -85.47 82.86 8.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.818 -173.057 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -96.96 -48.38 5.44 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.509 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.474 ' HA ' HD12 ' A' ' 9' ' ' LEU . 24.9 ttm-85 -92.26 -15.64 27.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.032 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.556 ' HB2' ' HB2' ' A' ' 4' ' ' GLN . 3.0 m-20 -55.18 -46.89 75.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.681 178.036 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -81.38 -6.33 58.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.99 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 6' ' ' ARG . 71.0 mt -87.36 -39.7 15.07 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 175.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -64.41 -30.59 71.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.823 0.82 . . . . 0.0 109.036 171.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -39.76 58.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.591 -1.186 . . . . 0.0 108.992 177.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.627 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -63.68 -25.41 68.2 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.666 176.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -64.13 -49.19 73.14 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.0 m -67.2 -38.05 84.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.25 0.548 . . . . 0.0 110.367 177.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.493 ' HG2' ' HE2' ' A' ' 31' ' ' TYR . 7.1 tp60 -65.09 -39.24 92.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.607 178.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.83 -37.83 88.78 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.971 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -58.07 -48.18 80.92 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 174.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -62.48 -34.74 77.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.517 176.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.408 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -70.04 -23.59 63.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.132 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.4 -33.75 64.12 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.171 -1.014 . . . . 0.0 111.423 174.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.493 HD13 ' HD2' ' A' ' 51' ' ' LYS . 4.0 mm? -81.79 -60.92 2.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.556 0.693 . . . . 0.0 110.184 176.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -100.27 -30.99 11.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.73 -1.123 . . . . 0.0 112.819 -170.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.408 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -71.71 -20.45 78.61 Favored Glycine 0 C--O 1.235 0.191 0 C-N-CA 120.322 -0.942 . . . . 0.0 112.252 -170.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 69.03 -55.48 0.55 Allowed 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.435 0.694 . . . . 0.0 112.756 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.4 m -128.76 173.69 10.12 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -172.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.433 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 40.6 mt-30 -79.91 -15.7 56.79 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.933 178.038 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -59.01 -19.23 41.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.737 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.583 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -85.4 27.38 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.143 -176.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.5 t -105.26 94.41 8.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.004 0.431 . . . . 0.0 110.863 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.583 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 40.6 Cg_endo -95.8 17.55 0.74 Allowed 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.241 2.628 . . . . 0.0 114.493 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.493 ' HE2' ' HG2' ' A' ' 15' ' ' GLN . 71.2 m-85 -99.4 -85.81 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.053 0.454 . . . . 0.0 112.223 -174.128 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.597 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 49.8 tp60 -124.89 177.76 5.85 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -176.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.46 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 89.5 mt-30 -101.13 -76.23 0.57 Allowed 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.874 177.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 67.6 t -70.68 -50.38 44.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.31 0.576 . . . . 0.0 110.734 -175.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.528 ' HB2' ' HG2' ' A' ' 32' ' ' GLN . 1.5 m-20 -61.02 -45.06 96.32 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.487 -178.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.597 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -65.74 -31.56 72.62 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 114.671 -1.15 . . . . 0.0 111.119 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -60.16 -50.89 71.88 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.857 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.0 p -67.2 -27.48 67.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.229 -174.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -99.98 -63.93 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.627 ' HB2' ' HB1' ' A' ' 12' ' ' ALA . 83.3 t90 -61.22 -49.17 78.23 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.042 -177.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 41' ' ' LEU . 1.3 tt -79.56 -22.69 43.48 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 -175.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.59 -43.83 97.43 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.816 -0.706 . . . . 0.0 111.372 173.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.71 -36.29 61.97 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.683 175.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 85.9 t90 -58.63 -51.29 70.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.168 0.508 . . . . 0.0 110.23 176.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 45' ' ' ARG . 1.3 mmm180 -61.91 -34.55 76.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.151 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.74 -56.44 10.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.091 0.472 . . . . 0.0 110.447 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.12 -42.5 99.55 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.585 -177.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -61.49 -45.28 94.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.99 0.424 . . . . 0.0 110.35 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.629 ' HA ' ' HB3' ' A' ' 52' ' ' GLN . 33.8 t70 -74.28 -14.4 60.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.38 0.61 . . . . 0.0 110.768 -179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -77.96 -34.04 51.21 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.493 ' HD2' HD13 ' A' ' 21' ' ' LEU . 22.8 mtpp -87.41 -16.38 35.06 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 176.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.629 ' HB3' ' HA ' ' A' ' 49' ' ' ASP . 27.0 tt0 -79.51 -20.62 46.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 113.964 -1.471 . . . . 0.0 109.728 177.252 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.9 m -85.67 6.76 26.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.905 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -57.75 -28.76 60.64 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 121.192 -0.528 . . . . 0.0 111.975 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 71.1 mt -100.04 61.41 1.1 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 173.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -74.64 -2.85 27.95 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.759 -176.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -165.29 -56.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.401 -175.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.35 163.39 20.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.174 0.511 . . . . 0.0 111.849 -175.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -112.88 -157.4 0.62 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.522 -176.41 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' A' ' 59' ' ' GLU . 54.9 m170 . . . . . 0 N--CA 1.474 0.768 0 C-N-CA 124.198 0.999 . . . . 0.0 110.787 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 120.802 0.334 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -103.31 -36.06 8.19 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -169.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -70.15 -25.53 63.5 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.986 0.422 . . . . 0.0 111.508 -173.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -68.4 -35.73 78.08 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.247 -173.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -74.79 -26.11 59.52 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.92 -174.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.504 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 51.5 ttm-85 -71.54 -44.44 64.59 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -49.05 -53.27 20.98 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.804 0.811 . . . . 0.0 110.462 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -59.67 -33.36 71.46 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.526 -177.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 35' ' ' ASP . 53.5 mt -85.91 -32.24 21.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.745 -177.096 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 6' ' ' ARG . 22.1 mm-40 -59.73 -31.61 69.78 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.433 0.635 . . . . 0.0 109.773 174.462 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 11' ' ' ARG . 13.2 mtp180 -88.44 -32.8 18.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.163 178.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 9' ' ' LEU . . . -59.14 -30.32 68.06 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.477 175.338 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -66.58 -51.43 56.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.386 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.7 m -65.44 -35.09 79.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.368 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -62.9 -45.95 90.1 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.948 176.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.92 -34.29 89.54 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.128 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.491 ' HE1' ' OD2' ' A' ' 46' ' ' ASP . 8.1 t80 -62.45 -49.34 75.8 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.071 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -64.7 -32.07 73.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.22 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.439 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -71.74 -14.65 62.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.808 176.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.01 -33.81 56.66 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.572 174.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -91.44 -43.2 9.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.47 0.653 . . . . 0.0 110.214 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -100.36 -38.12 8.58 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.388 -0.824 . . . . 0.0 112.87 -173.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.439 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -76.25 -17.83 79.71 Favored Glycine 0 CA--C 1.511 -0.209 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.235 -171.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 69.11 -63.77 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 123.688 0.795 . . . . 0.0 112.642 177.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.7 m -111.82 169.35 8.89 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.002 0.43 . . . . 0.0 111.718 -171.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.474 ' OE1' HD21 ' A' ' 41' ' ' LEU . 25.4 mt-30 -86.5 -6.55 58.87 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.736 0.779 . . . . 0.0 109.076 177.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.76 12.54 1.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.541 -1.209 . . . . 0.0 110.093 -179.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.662 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -117.33 27.88 8.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.723 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 44.1 t -102.89 90.71 2.47 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.812 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.662 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 49.3 Cg_endo -92.94 3.08 3.53 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.967 2.445 . . . . 0.0 114.527 -175.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -77.5 -68.65 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -173.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.505 ' HG3' ' H ' ' A' ' 33' ' ' GLN . 5.1 tp60 -146.41 -171.92 3.84 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -174.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.505 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 45.3 mt-30 -100.98 -76.92 0.55 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.186 0.517 . . . . 0.0 111.7 175.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.9 t -74.24 -47.94 38.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.826 -173.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.456 ' O ' ' HD1' ' A' ' 39' ' ' TYR . 10.9 m-20 -64.72 -44.33 90.53 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.572 -178.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.91 -32.36 73.82 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.228 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.455 HH11 ' HD3' ' A' ' 37' ' ' ARG . 37.2 ttt180 -59.62 -51.34 70.22 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.755 0.312 . . . . 0.0 110.163 176.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 t -68.32 -30.63 69.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.5 -172.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.456 ' HD1' ' O ' ' A' ' 35' ' ' ASP . 65.9 m-85 -92.44 -68.77 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.18 0.514 . . . . 0.0 111.75 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 59.5 t90 -63.92 -48.73 75.4 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.04 -174.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.474 HD21 ' OE1' ' A' ' 26' ' ' GLN . 5.1 tt -78.59 -33.74 47.31 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -172.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.86 -43.55 99.14 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 173.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.93 -37.81 93.61 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.808 175.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -57.64 -53.52 57.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.701 0.286 . . . . 0.0 110.522 177.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -64.92 -36.71 85.24 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.062 -178.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.491 ' OD2' ' HE1' ' A' ' 17' ' ' TYR . 35.3 t70 -62.35 -50.34 71.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.973 0.416 . . . . 0.0 110.008 179.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.41 96.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.043 178.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 48' ' ' ARG . 9.4 tpt180 -58.75 -47.09 85.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.157 178.036 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.606 ' HA ' ' HB3' ' A' ' 52' ' ' GLN . 31.1 t70 -76.63 -11.47 59.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.481 0.658 . . . . 0.0 110.963 -177.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -84.39 -25.37 29.12 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -95.81 -15.96 22.18 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 176.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.606 ' HB3' ' HA ' ' A' ' 49' ' ' ASP . 23.8 tp60 -88.59 -55.04 3.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.232 -1.349 . . . . 0.0 111.441 -176.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.6 m -82.31 1.31 37.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.347 -177.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -74.79 4.59 36.23 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 121.125 -0.559 . . . . 0.0 112.361 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 60.5 mt -97.24 3.59 51.31 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.519 0.199 . . . . 0.0 111.077 -178.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 72.0 t80 63.07 17.69 10.33 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.379 0.609 . . . . 0.0 111.325 174.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 57' ' ' LYS . 73.1 mmtt -76.25 -4.03 39.75 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.975 -0.453 . . . . 0.0 112.211 -174.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.2 mt -94.56 -51.09 4.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.429 -0.169 . . . . 0.0 111.331 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 58.36 -160.86 0.25 Allowed 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.48 0.487 . . . . 0.0 110.987 -175.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 71.1 m80 . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 120.629 0.252 . . . . 0.0 110.862 -178.931 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 121.033 0.444 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.517 ' HE2' ' OD1' ' A' ' 7' ' ' ASP . 59.2 tttt -151.17 -72.64 0.16 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.69 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 69.07 -65.84 0.28 Allowed 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.4 1.08 . . . . 0.0 111.48 178.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.508 ' HA ' ' OD1' ' A' ' 7' ' ' ASP . 32.3 tt0 -163.04 14.29 0.07 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.322 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -63.91 -68.9 0.31 Allowed 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 121.038 0.447 . . . . 0.0 111.324 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -64.82 -22.97 67.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.741 -176.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.517 ' OD1' ' HE2' ' A' ' 2' ' ' LYS . 4.6 m-20 -58.84 -63.72 1.2 Allowed 'General case' 0 C--O 1.24 0.581 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.638 178.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' ' 4' ' ' GLN . 5.8 ptp85 -66.93 -28.71 68.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.737 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' A' ' 35' ' ' ASP . 68.2 mt -71.53 -37.71 71.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.415 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -60.07 -39.77 87.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.309 0.575 . . . . 0.0 109.556 175.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -75.33 -39.56 59.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.346 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.446 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -59.67 -28.92 67.69 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.827 176.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -71.57 -45.72 61.45 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.072 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.9 m -70.26 -39.52 74.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.409 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -43.16 74.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.776 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.21 -37.47 93.0 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.013 177.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.408 ' OH ' ' HG2' ' A' ' 50' ' ' GLU . 27.3 t80 -55.88 -54.37 45.49 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 174.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -67.48 -30.28 69.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.378 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.43 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -66.54 -16.36 64.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.93 0.395 . . . . 0.0 111.012 177.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.92 -34.14 71.01 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.196 -1.002 . . . . 0.0 111.539 171.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -92.46 -41.85 10.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.501 0.667 . . . . 0.0 110.118 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -95.29 -41.82 8.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.479 -173.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.43 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -77.38 -26.79 60.76 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.288 -0.958 . . . . 0.0 111.365 -175.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.2 ttp85 67.43 -55.07 0.47 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.85 0.86 . . . . 0.0 112.472 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.9 m -103.71 -177.86 3.49 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.741 0.305 . . . . 0.0 111.076 -177.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -97.21 -16.42 20.4 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 122.018 0.913 . . . . 0.0 108.619 -177.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.75 0.41 5.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.093 -1.412 . . . . 0.0 111.166 179.4 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.594 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -91.33 21.91 4.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.542 176.303 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.8 t -104.67 92.33 4.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.719 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.594 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 62.0 Cg_endo -92.77 8.4 2.73 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 123.163 2.576 . . . . 0.0 113.383 178.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -82.78 -70.72 0.53 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -174.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.555 ' HG2' ' HB2' ' A' ' 35' ' ' ASP . 48.1 tp60 -153.09 179.96 8.24 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -172.143 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.407 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 54.5 tp60 -100.59 -75.84 0.57 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.848 174.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.9 t -72.26 -47.49 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.213 0.53 . . . . 0.0 110.84 -172.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.627 ' HB3' HD11 ' A' ' 9' ' ' LEU . 2.0 m-20 -60.94 -48.22 82.81 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.844 0.83 . . . . 0.0 109.562 178.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.539 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -66.93 -32.86 74.39 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.046 -178.162 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -55.76 -47.97 76.08 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.1 t -61.8 -44.76 96.23 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.391 -175.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -94.66 -56.16 2.88 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -175.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.446 ' HB2' ' HB1' ' A' ' 12' ' ' ALA . 66.4 t90 -65.49 -46.88 77.98 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.695 -176.199 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.54 -26.04 50.69 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -177.33 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.43 -51.16 58.27 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.432 174.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.99 -31.32 77.7 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 121.128 -0.558 . . . . 0.0 111.824 176.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.544 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 29.5 t90 -59.4 -48.5 81.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.036 0.446 . . . . 0.0 109.876 176.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.408 ' HD3' HH11 ' A' ' 45' ' ' ARG . 11.5 mmm-85 -70.22 -36.65 74.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.027 177.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -57.81 -48.16 80.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.33 0.586 . . . . 0.0 110.01 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.41 -40.86 97.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.249 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.544 ' HG3' ' O ' ' A' ' 44' ' ' TRP . 41.0 mtp180 -64.46 -35.27 80.38 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.088 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.413 ' HA ' ' HB2' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -77.68 -19.63 55.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.501 0.667 . . . . 0.0 110.167 -179.803 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.408 ' HG2' ' OH ' ' A' ' 17' ' ' TYR . 9.9 tp10 -84.88 -28.19 26.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.079 -0.964 . . . . 0.0 108.733 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -86.29 -19.33 30.03 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 175.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.542 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 32.2 tp60 -72.28 -62.6 1.38 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.06 -1.427 . . . . 0.0 109.851 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.6 t -81.29 -3.65 53.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.25 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.53 -23.75 64.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.598 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 33.4 tp -83.39 -78.74 0.21 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.96 0.409 . . . . 0.0 110.367 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -172.01 43.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.838 0.827 . . . . 0.0 109.114 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.531 ' HB2' ' O ' ' A' ' 52' ' ' GLN . 0.7 OUTLIER -86.37 -10.73 53.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.856 178.324 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.407 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 57.3 tp 71.98 -83.86 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.815 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -149.12 -173.82 4.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.948 -177.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 . . . . . 0 C--N 1.326 -0.43 0 CA-C-O 121.277 0.561 . . . . 0.0 110.129 174.547 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.582 0.23 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -72.51 147.41 46.04 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 177.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 59.37 61.07 2.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.716 0.769 . . . . 0.0 109.729 -170.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.522 ' H ' ' CD ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -81.52 28.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.326 -174.893 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -61.97 -41.29 97.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.785 176.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 6' ' ' ARG . 6.1 tpt180 -63.88 -27.0 68.86 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.781 -177.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.46 ' HB3' ' O ' ' A' ' 4' ' ' GLN . 7.6 t70 -55.15 -60.4 3.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.407 0.622 . . . . 0.0 110.66 177.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -77.74 -20.81 52.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.439 -174.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.598 HD11 ' HB3' ' A' ' 35' ' ' ASP . 23.9 mt -82.16 -46.28 14.01 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -66.14 -31.04 71.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.835 0.826 . . . . 0.0 109.28 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -77.63 -34.89 53.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.82 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.4 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -65.39 -28.94 69.62 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.238 173.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.13 -45.17 74.33 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.9 t -66.56 -44.93 80.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.189 175.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -59.65 -42.91 93.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.789 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.447 ' O ' ' HA ' ' A' ' 44' ' ' TRP . . . -62.76 -42.54 99.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.269 -0.491 . . . . 0.0 112.09 178.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -58.08 -50.41 73.55 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -62.79 -35.01 78.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.543 176.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.49 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -66.15 -20.91 66.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.072 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.03 -41.81 92.78 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.319 -0.943 . . . . 0.0 111.571 173.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -84.74 -48.31 9.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.93 0.395 . . . . 0.0 110.457 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -99.84 -39.13 8.35 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -173.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.49 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -71.26 -25.46 75.47 Favored Glycine 0 CA--C 1.512 -0.139 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.876 -171.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 ttp85 68.88 -65.68 0.28 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.58 0.752 . . . . 0.0 112.411 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.0 m -104.46 171.19 7.47 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.065 0.46 . . . . 0.0 111.724 -174.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.477 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 40.0 mt-30 -91.08 -11.68 37.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.498 0.666 . . . . 0.0 110.072 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -67.86 -8.88 40.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.211 176.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.679 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -88.86 23.61 2.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.398 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.9 t -100.15 94.75 3.47 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-O 120.952 0.406 . . . . 0.0 110.548 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.679 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 38.0 Cg_endo -94.47 34.39 0.18 Allowed 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 123.472 2.781 . . . . 0.0 113.57 -178.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -111.12 -81.26 0.58 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -175.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.436 ' CG ' ' H ' ' A' ' 33' ' ' GLN . 27.7 tt0 -150.77 -172.73 4.27 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -172.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.436 ' H ' ' CG ' ' A' ' 32' ' ' GLN . 74.6 mt-30 -100.53 -77.41 0.54 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 118.302 0.501 . . . . 0.0 112.134 -179.116 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.0 t -67.41 -54.66 21.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 121.339 0.59 . . . . 0.0 111.066 -173.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.598 ' HB3' HD11 ' A' ' 9' ' ' LEU . 3.1 m-20 -60.88 -48.56 81.26 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.07 -176.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.23 -30.45 71.5 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.25 -1.341 . . . . 0.0 111.488 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 66.6 ttt180 -59.7 -53.88 52.84 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 178.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.2 m -70.34 -25.26 63.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.432 -174.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -96.33 -58.3 2.1 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.477 ' CH2' ' HA ' ' A' ' 26' ' ' GLN . 67.6 t90 -71.25 -51.67 23.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.833 -175.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 tt -71.43 -34.42 70.27 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -175.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.94 -51.34 59.78 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.683 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.67 -33.22 80.12 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.999 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.447 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 90.8 t90 -58.26 -55.81 30.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.035 0.445 . . . . 0.0 110.647 177.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.7 ttt-85 -72.23 -31.12 65.55 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.082 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -55.52 -57.2 12.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.538 178.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.89 -49.84 75.36 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.161 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 48' ' ' ARG . 12.9 mtp180 -58.74 -59.98 4.56 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.266 -177.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.424 ' HA ' ' HB3' ' A' ' 52' ' ' GLN . 12.6 t70 -63.25 -25.53 68.37 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.325 0.391 . . . . 0.0 111.86 -172.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -83.31 -29.5 28.27 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.287 0.565 . . . . 0.0 109.851 -172.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -99.63 -5.1 29.56 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.933 0.873 . . . . 0.0 108.654 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.424 ' HB3' ' HA ' ' A' ' 49' ' ' ASP . 20.6 tm0? -83.95 -41.02 17.79 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.085 -1.416 . . . . 0.0 110.136 176.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.674 ' HA ' ' HB2' ' A' ' 56' ' ' TYR . 29.5 p -100.17 5.41 44.79 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.198 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.59 -40.78 63.52 Favored Glycine 0 C--N 1.334 0.443 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.248 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.8 tp -119.11 -59.0 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 172.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.674 ' HB2' ' HA ' ' A' ' 53' ' ' SER . 75.6 t80 66.36 -5.46 0.59 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.55 171.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 56' ' ' TYR . 67.6 mttm 67.02 24.78 9.42 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -169.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 tt -69.55 -60.08 2.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.706 -175.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -70.92 152.47 43.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.463 -174.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 15.1 p80 . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.299 -175.287 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.624 0.249 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -81.04 85.69 6.25 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.214 0.53 . . . . 0.0 110.311 -175.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.417 ' HA ' ' NE ' ' A' ' 3' ' ' ARG . 4.5 tpm_? -116.64 6.51 13.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.904 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 65.16 11.94 7.59 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.624 178.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -81.21 -34.78 32.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.5 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -64.83 -35.61 81.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -54.24 -54.73 35.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.177 0.513 . . . . 0.0 110.619 178.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.464 ' NH2' ' HB2' ' A' ' 32' ' ' GLN . 8.0 ptt-85 -70.29 -23.22 62.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.554 -177.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.1 mt -78.23 -46.46 20.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.932 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -70.0 -23.8 63.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.326 0.584 . . . . 0.0 109.651 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -80.28 -30.41 38.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.493 174.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.95 -26.1 68.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.953 172.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -65.39 -38.74 90.9 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 177.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.3 t -75.52 -37.39 60.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.845 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -59.53 -44.58 93.16 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.863 176.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.445 ' HA2' ' HB3' ' A' ' 19' ' ' ALA . . . -65.55 -34.61 89.57 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.294 178.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.464 ' CD2' ' HB2' ' A' ' 47' ' ' ALA . 36.3 t80 -60.28 -43.75 95.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.124 0.488 . . . . 0.0 109.94 176.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -73.64 -29.14 62.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.404 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.492 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -75.46 -18.22 59.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.689 -177.352 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.0 -23.67 77.65 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 120.347 -0.93 . . . . 0.0 111.408 174.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.59 -49.91 4.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.648 0.737 . . . . 0.0 109.765 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -99.66 -33.31 10.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.588 -173.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.492 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -75.75 -9.35 84.96 Favored Glycine 0 CA--C 1.506 -0.49 0 C-N-CA 120.433 -0.889 . . . . 0.0 111.049 -175.34 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 66.05 -69.85 0.11 Allowed 'General case' 0 CA--C 1.536 0.428 0 O-C-N 124.579 0.811 . . . . 0.0 112.681 178.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.475 ' HB3' ' OE1' ' A' ' 27' ' ' GLU . 14.9 m -111.43 -173.35 2.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.258 -171.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.421 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 13.6 mt-30 -97.4 -17.51 19.65 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 122.443 1.116 . . . . 0.0 108.077 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.475 ' OE1' ' HB3' ' A' ' 25' ' ' SER . 19.6 mp0 -64.74 -12.97 52.93 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 113.191 -1.822 . . . . 0.0 111.002 178.089 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.636 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -86.08 12.48 9.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.516 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.4 t -82.32 103.27 2.17 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.846 0.355 . . . . 0.0 110.563 178.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.636 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 74.8 Cg_endo -78.13 -24.6 8.0 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.789 2.326 . . . . 0.0 113.825 -175.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -96.86 135.07 39.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 119.076 -0.487 . . . . 0.0 111.322 -172.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.792 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 28.3 tt0 46.89 177.49 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.234 0 O-C-N 125.041 1.463 . . . . 0.0 114.945 159.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 7.1 tp-100 -104.87 -78.52 0.57 Allowed 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 121.143 -0.973 . . . . 0.0 112.684 175.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.2 t -74.75 -50.99 23.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.972 0.415 . . . . 0.0 111.548 -167.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -67.08 -35.7 80.39 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.609 0.719 . . . . 0.0 109.08 -175.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.792 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -59.52 -52.91 63.56 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.718 -1.128 . . . . 0.0 111.125 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 33' ' ' GLN . 13.9 mtp85 -61.64 -31.52 71.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.132 -177.141 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.6 m -67.64 -32.49 73.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.204 0.526 . . . . 0.0 110.397 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -96.81 -62.18 1.3 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.809 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.421 ' CH2' ' HA ' ' A' ' 26' ' ' GLN . 79.4 t90 -61.47 -46.25 90.82 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.291 -175.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.45 -19.69 45.51 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -175.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.76 -48.62 75.16 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.34 -33.58 64.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.792 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 54.8 t90 -57.55 -52.51 65.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.189 0.518 . . . . 0.0 110.334 177.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -64.25 -38.05 89.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.517 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -62.86 -57.52 10.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.814 0.34 . . . . 0.0 110.77 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.464 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . . . -55.82 -43.51 77.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.796 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.515 ' O ' ' HB2' ' A' ' 52' ' ' GLN . 5.3 tpt180 -64.69 -60.19 3.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.747 -177.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -64.88 -20.95 66.7 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -170.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -90.85 -35.53 14.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.233 0.539 . . . . 0.0 109.759 -173.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -90.1 -8.42 51.42 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.515 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 16.5 tm0? -96.14 -63.67 1.13 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.162 -1.381 . . . . 0.0 110.208 178.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.6 m -89.94 5.68 45.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.59 -174.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.12 -25.55 66.47 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.053 176.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.6 pp -113.02 19.66 17.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.854 0.359 . . . . 0.0 111.041 177.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -75.1 54.56 0.69 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.641 0.734 . . . . 0.0 109.699 177.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -169.97 -37.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.14 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.474 ' HG ' ' N ' ' A' ' 59' ' ' GLU . 58.7 tp -162.44 170.3 18.97 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.474 ' N ' ' HG ' ' A' ' 58' ' ' LEU . 33.3 tt0 -61.05 -36.92 80.87 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 123.405 0.441 . . . . 0.0 111.372 -177.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 48.8 m170 . . . . . 0 C--N 1.322 -0.615 0 CA-C-O 121.094 0.473 . . . . 0.0 111.384 -175.256 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.1 mtt . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.892 0.377 . . . . 0.0 111.364 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -145.13 159.41 43.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.851 176.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 70.83 89.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.84 0.713 . . . . 0.0 111.834 177.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.475 ' HB2' ' HB3' ' A' ' 7' ' ' ASP . 0.3 OUTLIER -129.38 104.02 7.25 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 170.347 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -74.27 -31.2 62.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.715 0.293 . . . . 0.0 111.452 -173.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -83.86 -36.16 23.64 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -177.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.475 ' HB3' ' HB2' ' A' ' 4' ' ' GLN . 20.4 t70 -59.11 -46.59 87.92 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 121.653 0.74 . . . . 0.0 109.436 173.091 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -51.01 -42.78 60.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.155 -1.384 . . . . 0.0 111.258 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.7 mt -81.32 -41.16 22.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.804 -178.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.21 -25.55 64.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.059 0.457 . . . . 0.0 110.446 -178.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -83.35 -28.22 29.14 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 176.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.49 -27.02 68.99 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.171 171.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -69.93 -41.39 74.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.044 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.0 m -71.14 -40.11 71.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.212 175.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.43 -48.31 73.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.637 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.47 ' HA2' ' HB3' ' A' ' 19' ' ' ALA . . . -57.55 -32.6 65.06 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.115 178.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.436 ' CD1' ' HB2' ' A' ' 47' ' ' ALA . 34.7 t80 -59.97 -53.51 56.95 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 176.328 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -70.34 -20.79 62.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.066 0.46 . . . . 0.0 110.365 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.475 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -80.68 -18.98 46.25 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.178 0.513 . . . . 0.0 110.725 -177.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.0 -24.27 74.26 Favored Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.17 -1.014 . . . . 0.0 110.907 172.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.849 HD21 ' HB1' ' A' ' 47' ' ' ALA . 0.8 OUTLIER -93.87 -53.77 3.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.599 0.714 . . . . 0.0 109.404 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -101.01 -31.9 10.88 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.617 -173.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -71.49 -11.09 71.79 Favored Glycine 0 CA--C 1.505 -0.587 0 C-N-CA 120.043 -1.075 . . . . 0.0 110.853 -176.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 61.58 -72.73 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 114.6 -0.8 . . . . 0.0 112.23 -178.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.7 m -105.56 175.37 5.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.282 0.563 . . . . 0.0 112.014 -173.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -81.2 -13.26 58.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.21 177.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.54 -16.61 56.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.735 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.557 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -85.51 25.23 1.07 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.741 -177.324 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.9 t -108.4 85.99 3.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 0.0 110.546 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.557 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 34.7 Cg_endo -94.35 31.51 0.22 Allowed 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.289 2.66 . . . . 0.0 113.683 -177.268 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -107.01 -71.67 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.377 -0.529 . . . . 0.0 112.108 -174.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.603 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 32.2 tt0 -149.35 177.56 9.57 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -172.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.503 ' O ' ' HB2' ' A' ' 37' ' ' ARG . 15.9 mm100 -101.26 -76.85 0.56 Allowed 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.143 -0.623 . . . . 0.0 112.464 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.2 t -66.13 -55.15 20.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 CA-C-O 121.438 0.637 . . . . 0.0 111.421 -173.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.79 -35.51 77.11 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.836 -175.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.603 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -68.91 -38.29 79.48 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.637 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.503 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 9.8 ttt180 -57.86 -41.43 82.41 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.2 m -67.94 -44.87 75.79 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.646 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -81.16 -55.3 4.84 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -176.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -69.54 -47.31 64.13 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.458 -172.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.496 ' O ' ' HG3' ' A' ' 45' ' ' ARG . 0.5 OUTLIER -74.32 -25.16 59.39 Favored 'General case' 0 N--CA 1.461 0.09 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.54 -174.587 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.53 -51.41 56.34 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.692 177.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.43 -30.0 69.47 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.882 177.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -59.43 -49.15 78.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.863 0.363 . . . . 0.0 110.64 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 41' ' ' LEU . 16.7 mtm180 -66.17 -45.42 80.96 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.498 179.087 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -56.59 -56.71 17.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.987 -177.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.849 ' HB1' HD21 ' A' ' 21' ' ' LEU . . . -57.59 -45.14 85.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.309 -178.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -49.3 78.21 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 178.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -66.84 -20.02 65.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.7 -175.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -95.48 -23.94 16.88 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.596 0.712 . . . . 0.0 109.789 -176.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -81.64 -23.23 37.08 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 174.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -88.76 -41.4 12.56 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 113.656 -1.611 . . . . 0.0 111.517 -175.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.0 m -98.6 -0.73 42.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.794 0.33 . . . . 0.0 110.871 -178.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.21 -17.99 66.63 Favored Glycine 0 C--N 1.333 0.387 0 CA-C-N 116.043 -0.526 . . . . 0.0 113.822 -173.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.7 -44.4 81.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 178.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 65.1 t80 44.46 76.01 0.09 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.13 -0.941 . . . . 0.0 112.076 -177.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -121.02 24.48 10.14 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.96 174.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.07 -70.23 0.25 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 50.27 94.04 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 177.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 64.8 t60 . . . . . 0 C--N 1.319 -0.719 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 174.09 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -171.42 -81.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.095 0.247 . . . . 0.0 110.392 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 3' ' ' ARG . 30.4 mtt180 -116.93 10.91 14.21 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -63.47 -29.26 70.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.157 0.503 . . . . 0.0 110.428 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -66.25 -19.79 65.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.476 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -93.52 -41.41 9.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.974 175.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 27.9 m-20 -55.93 -42.5 76.22 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.413 -179.265 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -58.66 -26.97 64.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.685 178.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.568 HD11 ' HB3' ' A' ' 35' ' ' ASP . 78.2 mt -94.52 -26.42 16.44 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.213 -177.197 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -66.05 -35.43 80.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.793 0.806 . . . . 0.0 108.875 173.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 7' ' ' ASP . 16.5 mtm180 -82.64 -33.46 27.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.689 178.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.454 ' HB3' ' HA ' ' A' ' 9' ' ' LEU . . . -63.37 -34.06 76.89 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 120.995 0.426 . . . . 0.0 110.242 173.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -64.22 -47.21 80.58 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.488 0.661 . . . . 0.0 109.705 178.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.3 m -71.24 -42.02 69.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.34 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -63.12 -41.92 99.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.553 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.22 -40.6 97.54 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.284 -0.484 . . . . 0.0 112.026 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.401 ' O ' HD22 ' A' ' 21' ' ' LEU . 80.3 t80 -61.34 -50.85 71.25 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 177.584 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -63.31 -36.35 83.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.319 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.453 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -67.03 -23.32 65.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.95 0.405 . . . . 0.0 111.014 178.017 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.33 -42.3 99.23 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.602 -0.808 . . . . 0.0 111.349 174.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.401 HD22 ' O ' ' A' ' 17' ' ' TYR . 1.0 OUTLIER -86.1 -55.96 3.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.488 0.661 . . . . 0.0 110.485 178.744 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -92.24 -33.61 14.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.493 -170.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.453 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -77.46 -17.05 79.67 Favored Glycine 0 CA--C 1.512 -0.111 0 C-N-CA 120.224 -0.989 . . . . 0.0 112.391 -172.198 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 66.34 -73.95 0.07 Allowed 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 123.506 0.722 . . . . 0.0 112.087 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.0 m -99.85 169.36 9.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.295 0.569 . . . . 0.0 111.928 -172.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.49 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 46.7 mt-30 -79.91 -6.95 58.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.827 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -63.18 -19.15 64.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.184 175.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.429 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -82.31 26.88 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.705 -176.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 40.7 t -112.51 81.69 4.29 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-O 121.007 0.432 . . . . 0.0 110.799 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 38.5 Cg_endo -92.6 36.8 0.23 Allowed 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 123.336 2.69 . . . . 0.0 113.716 -178.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -112.76 -59.16 2.05 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -173.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.627 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 6.8 tp60 -160.49 177.4 10.58 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -174.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.454 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 15.9 mm100 -98.16 -77.15 0.51 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 118.443 0.565 . . . . 0.0 112.108 178.225 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.6 t -73.2 -48.85 41.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.022 0.439 . . . . 0.0 110.632 -172.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.568 ' HB3' HD11 ' A' ' 9' ' ' LEU . 2.8 m-20 -58.42 -54.35 47.98 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 122.24 1.019 . . . . 0.0 108.862 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.627 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -56.74 -55.48 33.62 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.363 -176.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.63 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 99.3 mtt180 -61.19 -25.53 67.1 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -174.444 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.7 m -71.17 -35.68 71.72 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.349 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -94.16 -53.14 4.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.079 0.466 . . . . 0.0 111.921 176.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.49 ' CH2' ' HA ' ' A' ' 26' ' ' GLN . 66.0 t90 -60.33 -47.05 87.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.639 -174.015 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.63 ' HB2' ' O ' ' A' ' 37' ' ' ARG . 2.2 mt -71.92 -16.19 62.11 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.75 0.31 . . . . 0.0 110.915 -177.466 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.19 -52.26 33.16 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 175.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.99 -36.03 92.59 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.392 176.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -58.12 -49.6 76.41 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.08 0.466 . . . . 0.0 110.26 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.4 mtm180 -65.95 -38.02 87.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.592 177.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -62.3 -48.18 81.02 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.648 -177.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.96 -49.49 76.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.069 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 48' ' ' ARG . 5.8 mmt180 -56.68 -51.18 69.75 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.708 179.015 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.608 ' HA ' ' HB2' ' A' ' 52' ' ' GLN . 31.1 t70 -71.74 -13.34 61.69 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -175.365 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -84.81 -34.98 22.63 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -177.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -85.44 -18.99 32.0 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.608 ' HB2' ' HA ' ' A' ' 49' ' ' ASP . 23.9 mm-40 -76.97 -48.24 18.59 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 113.714 -1.585 . . . . 0.0 110.643 175.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.4 m -71.8 -18.59 62.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.519 177.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.551 ' O ' ' HG ' ' A' ' 58' ' ' LEU . . . -88.52 2.91 85.13 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.177 176.307 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.8 tp 72.9 -59.06 0.58 Allowed 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 123.881 0.872 . . . . 0.0 111.199 174.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -146.21 -51.96 0.24 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.408 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -172.19 82.84 0.06 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.791 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 54' ' ' GLY . 79.4 mt -84.96 165.03 17.94 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.557 171.098 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -129.4 85.73 2.34 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.479 0.657 . . . . 0.0 111.249 -174.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.924 -179.219 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.8 mtp . . . . . 0 N--CA 1.483 1.222 0 CA-C-O 120.555 0.217 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -69.49 -23.62 63.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.007 0.432 . . . . 0.0 110.199 177.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -61.32 -24.78 66.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.186 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -75.32 -8.25 56.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.188 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 8' ' ' ARG . 95.2 mttt -62.96 -35.63 80.78 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 171.417 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -58.48 -32.12 68.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.97 -177.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -60.46 -57.43 12.78 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 121.554 0.692 . . . . 0.0 110.699 175.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -73.89 -17.75 61.0 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.709 -173.323 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.59 HD11 ' HB3' ' A' ' 35' ' ' ASP . 86.6 mt -86.13 -34.64 20.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.036 176.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -63.38 -38.22 90.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.864 0.84 . . . . 0.0 108.752 174.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 11' ' ' ARG . 47.3 mtm180 -76.3 -34.78 59.06 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.682 -1.145 . . . . 0.0 109.378 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.42 -30.85 71.88 Favored 'General case' 0 CA--C 1.518 -0.275 0 O-C-N 123.743 0.652 . . . . 0.0 110.695 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -66.24 -50.88 62.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.216 0.532 . . . . 0.0 109.797 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.2 t -69.76 -34.0 73.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.016 177.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.504 ' HG2' ' HE2' ' A' ' 31' ' ' TYR . 6.3 tp-100 -67.12 -39.66 86.69 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.702 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.78 -42.17 97.91 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.716 177.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -61.6 -48.56 80.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.321 0.582 . . . . 0.0 109.511 177.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -64.16 -36.48 84.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.879 178.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.517 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -67.37 -18.85 65.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.94 -30.57 76.25 Favored Glycine 0 N--CA 1.442 -0.951 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.605 172.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -96.49 -51.48 4.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.408 0.623 . . . . 0.0 110.091 178.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -96.45 -34.03 11.66 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.164 -0.926 . . . . 0.0 113.033 -171.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.517 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -83.66 -18.66 63.35 Favored Glycine 0 CA--C 1.506 -0.469 0 C-N-CA 120.009 -1.091 . . . . 0.0 111.532 -171.136 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 61.14 -79.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.427 -0.887 . . . . 0.0 112.45 -176.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.0 m -89.91 166.59 13.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.262 0.553 . . . . 0.0 111.404 -172.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.509 ' HB3' HD21 ' A' ' 41' ' ' LEU . 36.2 mt-30 -82.67 -12.67 57.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.445 177.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -73.08 -6.71 47.41 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.913 -1.04 . . . . 0.0 110.198 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.671 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -89.73 24.92 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.76 178.011 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.8 t -101.09 92.98 2.75 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.312 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.671 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 40.3 Cg_endo -94.82 -9.1 1.5 Allowed 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.419 2.746 . . . . 0.0 115.329 -175.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.504 ' HE2' ' HG2' ' A' ' 15' ' ' GLN . 89.9 m-85 -64.34 -51.98 60.71 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -172.142 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.657 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 6.7 tp60 -166.1 176.47 7.66 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -173.009 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.497 ' O ' ' HD2' ' A' ' 37' ' ' ARG . 8.6 pt20 -98.05 -75.75 0.54 Allowed 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 119.273 -0.971 . . . . 0.0 112.08 171.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.489 ' H ' ' HG3' ' A' ' 33' ' ' GLN . 60.7 t -69.14 -50.38 53.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 O-C-N 121.705 -0.622 . . . . 0.0 110.776 -170.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.59 ' HB3' HD11 ' A' ' 9' ' ' LEU . 39.8 m-20 -60.93 -49.08 78.89 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.879 0.847 . . . . 0.0 109.101 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.657 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -61.21 -55.25 34.27 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.862 -175.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.623 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 2.2 mpt_? -64.96 -22.19 66.96 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 119.984 -0.687 . . . . 0.0 111.387 -173.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 m -68.2 -38.51 82.05 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 176.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -91.85 -52.14 4.88 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.207 0.527 . . . . 0.0 112.361 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.429 ' CH2' ' HA ' ' A' ' 26' ' ' GLN . 66.7 t90 -61.6 -49.78 75.25 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.403 -174.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.623 ' HB2' ' O ' ' A' ' 37' ' ' ARG . 11.8 mt -72.22 -24.42 61.39 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.995 -177.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.37 -45.16 91.81 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.62 176.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.47 -27.37 65.7 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.912 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.449 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 63.5 t90 -63.85 -52.85 58.18 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.033 0.444 . . . . 0.0 110.234 178.218 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -66.33 -35.65 80.9 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.466 178.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -56.2 -50.76 70.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.182 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.72 -39.59 77.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.431 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 44' ' ' TRP . 39.3 mmt180 -57.59 -56.67 18.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.437 -176.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.61 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 3.3 p-10 -93.28 1.08 57.16 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.461 -171.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -83.91 -33.04 24.81 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.452 ' HE2' ' HB3' ' A' ' 51' ' ' LYS . 49.3 mtpt -88.44 -22.39 23.73 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 175.106 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.61 ' CB ' ' HA ' ' A' ' 49' ' ' ASP . 5.1 tt0 -74.57 -18.32 60.6 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 114.433 -1.258 . . . . 0.0 109.657 177.042 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.453 ' HB3' ' HG ' ' A' ' 58' ' ' LEU . 51.4 m -60.51 -23.43 64.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.154 169.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -71.78 -12.57 74.57 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.102 -0.571 . . . . 0.0 112.341 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.0 tp -92.2 -76.1 0.47 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -169.27 25.33 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.427 0.632 . . . . 0.0 109.928 -177.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -130.97 60.45 1.65 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.927 -176.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.453 ' HG ' ' HB3' ' A' ' 53' ' ' SER . 5.2 mp -80.23 -89.95 0.06 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.955 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 49.0 -126.92 2.07 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 123.637 0.585 . . . . 0.0 111.406 -178.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 72.5 m80 . . . . . 0 C--N 1.326 -0.421 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.32 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.432 ' HG3' ' HG3' ' A' ' 2' ' ' LYS . 12.8 tpt . . . . . 0 N--CA 1.48 1.061 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.432 ' HG3' ' HG3' ' A' ' 1' ' ' MET . 54.7 mtmt 61.05 41.2 14.17 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.196 0.522 . . . . 0.0 110.666 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -138.61 25.09 2.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.298 -177.826 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.445 ' HB2' ' HB2' ' A' ' 7' ' ' ASP . 1.1 mp0 -64.98 125.27 24.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.212 -178.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -72.07 -27.13 62.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.152 -174.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 6' ' ' ARG . 18.9 ttp85 -84.3 -32.35 24.4 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.986 176.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.445 ' HB2' ' HB2' ' A' ' 4' ' ' GLN . 19.1 t70 -59.2 -52.76 64.31 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.356 0.598 . . . . 0.0 110.397 179.193 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.8 ptm85 -63.52 -27.21 69.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.717 -175.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.491 ' CD1' ' HB3' ' A' ' 35' ' ' ASP . 37.5 mt -92.1 -33.58 14.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.731 -177.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -69.11 -26.41 64.9 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 172.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -73.16 -42.54 62.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.583 -1.19 . . . . 0.0 108.47 174.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.569 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -61.57 -31.05 71.07 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.633 174.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -64.97 -50.45 66.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.038 0.447 . . . . 0.0 109.916 177.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.9 t -67.45 -39.02 85.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.358 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -46.09 85.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.46 178.06 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.05 -38.78 94.8 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.449 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -62.66 -41.19 98.92 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -69.48 -28.29 65.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.1 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.22 -23.67 54.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.763 -177.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.37 -24.61 76.01 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.463 -0.875 . . . . 0.0 111.547 174.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.77 -55.12 2.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.602 0.715 . . . . 0.0 109.509 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.06 -33.45 14.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.235 -173.086 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.82 -19.92 78.48 Favored Glycine 0 CA--C 1.509 -0.304 0 C-N-CA 120.286 -0.959 . . . . 0.0 112.027 -171.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 67.99 -59.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 123.633 0.773 . . . . 0.0 112.273 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.2 m -116.48 173.75 6.44 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.379 -172.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -88.57 -10.09 49.98 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.613 0.72 . . . . 0.0 109.41 178.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -66.53 -9.53 35.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.948 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.658 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -99.14 30.5 3.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.468 -177.264 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 41.0 t -101.95 93.97 4.15 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.686 0.279 . . . . 0.0 110.893 178.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.658 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 42.3 Cg_endo -96.49 22.96 0.35 Allowed 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 123.365 2.71 . . . . 0.0 113.333 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -97.45 -73.5 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.527 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 1.7 tt0 -148.55 -175.66 5.01 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -172.052 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.569 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 95.8 mt-30 -101.11 -78.25 0.53 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.028 0.442 . . . . 0.0 111.867 178.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.9 t -75.56 -48.56 29.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.401 0.619 . . . . 0.0 110.451 -175.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.491 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 7.9 m-20 -62.98 -37.16 86.0 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.767 -178.263 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.527 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -71.03 -30.76 67.05 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.215 -178.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.597 ' HA ' ' HB2' ' A' ' 41' ' ' LEU . 99.2 mtt180 -60.62 -48.89 79.79 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.489 174.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.5 t -61.84 -40.08 94.05 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.534 -174.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.431 ' CD1' ' HB3' ' A' ' 9' ' ' LEU . 84.9 m-85 -93.81 -67.33 0.86 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.65 -178.261 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.569 ' HB2' ' HB1' ' A' ' 12' ' ' ALA . 68.1 t90 -61.96 -47.09 86.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.463 -173.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.597 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 0.9 OUTLIER -77.33 -28.28 53.06 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -174.122 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.2 -46.39 91.06 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.559 174.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.01 -38.41 92.71 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.646 175.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -58.67 -53.71 55.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.321 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -62.02 -44.43 96.73 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.319 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -55.53 -52.97 61.91 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.304 0.378 . . . . 0.0 110.325 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.43 97.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.107 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.75 -56.6 9.76 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.72 -176.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -64.23 -18.32 64.42 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.786 0.327 . . . . 0.0 111.701 -176.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -77.8 -47.44 18.91 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 121.778 0.799 . . . . 0.0 109.524 -178.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -85.58 -14.82 44.58 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 -175.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -72.94 -42.08 63.81 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 113.638 -1.619 . . . . 0.0 109.502 174.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.3 m -74.33 -23.46 59.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.236 175.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -67.59 -37.75 89.75 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.999 -0.619 . . . . 0.0 111.753 176.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 33.0 tp -81.76 -37.66 26.87 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 175.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.9 t80 62.08 21.0 12.07 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.598 173.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -143.54 61.67 1.38 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.995 0.902 . . . . 0.0 109.395 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.7 pp -73.93 -40.58 63.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.724 -1.125 . . . . 0.0 111.563 -177.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -41.57 117.11 0.86 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.045 -1.434 . . . . 0.0 112.737 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 36.8 m80 . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.941 174.864 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -83.2 -178.6 7.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.618 -176.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 72.57 -57.31 0.63 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.101 0.96 . . . . 0.0 110.392 -178.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.491 ' O ' ' HB2' ' A' ' 7' ' ' ASP . 83.0 mt-30 -84.67 4.93 30.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.843 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.9 tttp -66.63 -39.33 88.23 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.723 -174.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 46.2 ttm-85 -74.68 -22.33 58.92 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.271 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.491 ' HB2' ' O ' ' A' ' 4' ' ' GLN . 1.3 m-20 -55.17 -59.87 4.17 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.815 0.34 . . . . 0.0 111.003 178.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -64.87 -32.41 74.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.627 -177.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.401 HD11 ' HB3' ' A' ' 35' ' ' ASP . 41.3 mt -78.14 -34.82 49.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.639 0.257 . . . . 0.0 111.454 -178.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -69.19 -30.29 68.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.054 0.454 . . . . 0.0 110.031 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -80.61 -30.14 36.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.433 ' O ' ' HA ' ' A' ' 40' ' ' TRP . . . -61.0 -32.37 71.95 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.64 171.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -64.67 -48.28 75.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.853 178.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.3 m -64.58 -40.01 94.77 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.53 177.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.427 ' HG2' ' HE2' ' A' ' 31' ' ' TYR . 5.9 tp-100 -59.92 -45.5 92.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.177 177.217 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.506 ' HA3' ' O ' ' A' ' 40' ' ' TRP . . . -61.09 -33.14 83.0 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.104 178.135 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -63.1 -46.46 87.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 177.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -70.99 -21.3 62.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.311 0.577 . . . . 0.0 109.942 176.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.59 -20.54 53.82 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.877 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.93 -12.38 81.28 Favored Glycine 0 N--CA 1.442 -0.916 0 C-N-CA 120.342 -0.932 . . . . 0.0 111.404 173.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mt -100.22 -54.33 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.723 0.773 . . . . 0.0 109.169 177.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -100.52 -34.91 9.72 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.437 -1.256 . . . . 0.0 112.293 -174.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.58 -19.53 73.46 Favored Glycine 0 CA--C 1.509 -0.311 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.16 -169.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 24' ' ' ARG . 19.5 ttm-85 67.31 -67.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 123.645 0.778 . . . . 0.0 112.671 179.241 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.7 m -110.22 173.99 6.07 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -169.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -78.47 -14.37 59.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.692 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -57.27 -21.64 35.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.833 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.624 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -89.35 26.94 1.54 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.151 -173.295 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 47.2 t -107.51 88.52 4.21 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 111.201 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.624 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 31.2 Cg_endo -99.14 32.75 0.11 Allowed 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 123.519 2.812 . . . . 0.0 114.284 -178.336 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.427 ' HE2' ' HG2' ' A' ' 15' ' ' GLN . 33.0 m-85 -109.05 -36.73 6.0 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -174.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.709 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 5.6 tp60 -179.62 177.24 0.73 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 -174.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.439 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 30.4 mm-40 -101.02 -77.04 0.55 Allowed 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 118.732 0.696 . . . . 0.0 112.328 176.356 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.6 t -66.13 -54.95 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.141 0.495 . . . . 0.0 111.424 -172.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.401 ' HB3' HD11 ' A' ' 9' ' ' LEU . 12.5 m-20 -68.77 -39.64 80.14 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.838 -174.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.709 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -63.45 -46.98 83.77 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 114.944 -1.026 . . . . 0.0 110.617 179.052 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -60.17 -36.93 78.7 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.006 -176.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.0 p -70.64 -31.39 68.31 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.248 -177.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -96.08 -55.75 2.87 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.386 -0.526 . . . . 0.0 112.176 178.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.506 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 85.6 t90 -59.84 -50.76 72.52 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 123.135 0.574 . . . . 0.0 110.953 -176.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.536 HD23 ' HG3' ' A' ' 45' ' ' ARG . 1.4 tt -76.13 -15.44 60.08 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -176.574 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.51 -44.31 97.77 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 173.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.23 -31.29 57.54 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.788 175.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -58.57 -52.24 66.48 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.025 0.441 . . . . 0.0 110.305 177.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.536 ' HG3' HD23 ' A' ' 41' ' ' LEU . 37.2 mtp-105 -61.55 -44.12 97.62 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.386 175.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -53.39 -48.21 68.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.952 -176.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.6 -53.79 54.4 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 178.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.3 mtp-105 -60.33 -52.81 63.69 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.238 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.619 ' HA ' ' HB2' ' A' ' 52' ' ' GLN . 1.3 m-20 -64.46 -12.27 41.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.093 -177.43 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -85.01 -35.38 21.97 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -92.14 -14.2 29.51 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.589 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.619 ' HB2' ' HA ' ' A' ' 49' ' ' ASP . 12.8 mm-40 -84.79 -61.41 1.79 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.206 -1.361 . . . . 0.0 111.106 178.448 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.5 m -66.09 -19.49 65.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.256 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.39 -23.2 77.64 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.611 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.6 mt -88.41 52.31 2.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.035 0.445 . . . . 0.0 111.421 -176.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -73.22 -4.8 35.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.313 0.578 . . . . 0.0 109.77 172.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HE2' ' HB3' ' A' ' 57' ' ' LYS . 30.4 ttpt -93.46 -46.7 7.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.056 -179.262 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 54.4 tp -68.27 -64.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.351 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -89.66 104.46 17.01 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.021 178.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 . . . . . 0 C--N 1.32 -0.695 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.995 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ttt . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 120.324 0.107 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 87.5 tttt 74.17 -55.98 0.65 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.375 0.67 . . . . 0.0 112.044 176.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 57.9 ttp85 -90.88 68.83 6.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.494 0.664 . . . . 0.0 111.069 -175.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.66 ' HB2' ' HB2' ' A' ' 7' ' ' ASP . 76.9 mt-30 -143.43 159.84 41.66 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.031 -0.986 . . . . 0.0 108.449 170.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -71.65 -37.2 70.84 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.983 -176.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -82.85 -43.52 16.52 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.683 177.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.66 ' HB2' ' HB2' ' A' ' 4' ' ' GLN . 10.8 t70 -44.72 -58.88 2.79 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.658 0.599 . . . . 0.0 111.672 -175.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.7 ptp85 -63.2 -30.59 71.71 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.68 -174.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.498 HD11 ' HB3' ' A' ' 35' ' ' ASP . 96.6 mt -84.38 -31.37 24.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.815 0.34 . . . . 0.0 110.725 -178.453 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -62.51 -32.65 73.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 122.019 0.914 . . . . 0.0 109.408 173.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.499 ' HD3' ' O ' ' A' ' 7' ' ' ASP . 10.0 mpt_? -85.06 -42.14 15.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.794 -1.093 . . . . 0.0 109.447 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -56.64 -36.61 69.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.999 176.192 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -68.73 -42.64 77.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.199 0.523 . . . . 0.0 110.301 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.1 m -71.77 -38.79 70.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.424 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.0 -48.74 67.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.314 177.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.88 -38.1 87.34 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.651 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -60.27 -51.99 67.17 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 177.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.56 -33.23 75.15 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.58 -17.63 64.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 177.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.401 ' HA3' ' HB3' ' A' ' 47' ' ' ALA . . . -71.58 -41.45 57.39 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.354 174.375 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -84.34 -47.02 11.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.091 0.472 . . . . 0.0 110.484 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -97.35 -38.08 9.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.693 -173.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.48 -21.17 70.18 Favored Glycine 0 C--O 1.233 0.089 0 C-N-CA 120.393 -0.908 . . . . 0.0 111.847 -173.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 69.24 -61.1 0.44 Allowed 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 123.993 0.917 . . . . 0.0 112.459 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.4 m -106.42 169.3 8.6 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.182 0.515 . . . . 0.0 112.296 -171.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.403 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 38.0 mt-30 -81.38 -10.28 59.57 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.663 176.506 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -63.97 -14.39 53.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.802 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.642 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -88.99 21.64 3.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.118 -175.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.3 t -100.9 96.62 5.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 111.091 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.642 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 28.0 Cg_endo -96.52 18.41 0.59 Allowed 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 123.287 2.658 . . . . 0.0 113.794 179.393 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -96.76 -83.57 0.38 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -173.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.792 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 63.4 tt0 -138.34 177.85 7.57 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -171.155 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.528 ' O ' ' HB2' ' A' ' 37' ' ' ARG . 36.7 tt0 -99.7 -75.7 0.56 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -175.328 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.6 t -75.35 -52.87 17.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.314 0.578 . . . . 0.0 111.164 -172.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.498 ' HB3' HD11 ' A' ' 9' ' ' LEU . 29.5 m-20 -67.63 -41.92 83.14 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.308 -174.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.792 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -64.08 -31.19 72.29 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.821 177.055 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.528 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 49.8 ttt180 -61.15 -47.29 86.88 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.6 m -69.48 -32.26 71.04 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.447 -177.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.472 ' CG ' ' HB3' ' A' ' 9' ' ' LEU . 47.7 m-85 -92.21 -56.1 3.18 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -177.545 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.435 ' HB2' ' HB1' ' A' ' 12' ' ' ALA . 65.4 t90 -65.62 -52.53 51.18 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.65 -177.086 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 tt -72.62 -26.9 61.85 Favored 'General case' 0 C--N 1.334 -0.067 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -176.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.27 -46.4 94.35 Favored Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 174.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.75 -35.97 61.94 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.991 -0.623 . . . . 0.0 111.817 176.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -59.02 -50.06 75.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.979 0.419 . . . . 0.0 110.248 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -24.74 62.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.094 -178.516 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.49 -50.76 66.15 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 174.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.401 ' HB3' ' HA3' ' A' ' 20' ' ' GLY . . . -61.46 -41.13 96.75 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.491 176.15 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.409 ' HD2' ' HA ' ' A' ' 48' ' ' ARG . 20.3 tpt180 -59.9 -41.41 91.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.038 177.352 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.563 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 22.1 t70 -81.98 -4.35 56.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.272 0.558 . . . . 0.0 110.424 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -83.86 -29.99 26.8 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -85.93 -27.51 24.9 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 171.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.563 ' CB ' ' HA ' ' A' ' 49' ' ' ASP . 11.6 tm0? -73.7 -17.84 61.08 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.315 -1.311 . . . . 0.0 109.026 178.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.8 t -73.46 -10.13 59.41 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.118 175.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.478 ' O ' ' HB2' ' A' ' 58' ' ' LEU . . . -77.45 0.21 70.18 Favored Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 175.014 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.417 ' HB2' HD13 ' A' ' 58' ' ' LEU . 76.6 mt 69.46 3.57 4.24 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.641 0.776 . . . . 0.0 111.681 175.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 51.0 t80 68.75 -52.73 0.57 Allowed 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.49 0.716 . . . . 0.0 112.155 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -75.49 -16.46 60.3 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.33 -176.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 54' ' ' GLY . 10.7 mp -94.31 -99.06 0.15 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.655 178.128 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 37.82 52.06 1.41 Allowed 'General case' 0 N--CA 1.473 0.714 0 O-C-N 123.905 0.753 . . . . 0.0 110.728 -175.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 45.1 t60 . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.729 -167.523 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 120.785 0.326 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -95.94 5.18 51.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -177.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.7 mtm180 -82.27 20.95 0.97 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.231 0.539 . . . . 0.0 110.291 177.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.404 ' O ' ' HB3' ' A' ' 7' ' ' ASP . 1.4 tp-100 -74.96 -0.72 19.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.867 -174.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -63.43 -43.53 97.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.07 0.462 . . . . 0.0 110.797 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 54.1 ttm-85 -76.7 -21.47 55.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.548 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.404 ' HB3' ' O ' ' A' ' 4' ' ' GLN . 21.3 t70 -56.61 -49.35 75.21 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.847 0.832 . . . . 0.0 110.029 176.009 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -60.99 -35.73 77.6 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.087 -1.415 . . . . 0.0 111.089 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.422 ' CD1' ' HB3' ' A' ' 35' ' ' ASP . 43.2 mt -88.51 -30.97 18.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.095 -175.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -69.77 -26.72 64.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.613 0.72 . . . . 0.0 109.319 176.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.5 ttm105 -79.46 -36.06 39.4 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 174.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.41 ' HA ' ' HB3' ' A' ' 15' ' ' GLN . . . -61.8 -29.56 70.23 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.358 173.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -68.84 -45.97 69.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.429 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.2 t -68.96 -36.96 78.52 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 176.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.41 ' HB3' ' HA ' ' A' ' 12' ' ' ALA . 7.0 tp60 -60.32 -43.54 96.28 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.764 175.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 40' ' ' TRP . . . -65.32 -36.87 93.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.345 -0.455 . . . . 0.0 112.347 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -57.63 -51.48 69.35 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.433 ' HA ' HD23 ' A' ' 21' ' ' LEU . 18.5 tptm -70.8 -25.99 63.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.273 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.457 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -67.78 -18.59 64.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.162 0.506 . . . . 0.0 110.37 177.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.37 -33.77 83.07 Favored Glycine 0 N--CA 1.438 -1.201 0 C-N-CA 120.438 -0.887 . . . . 0.0 111.501 172.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 18' ' ' LYS . 1.1 mm? -91.3 -45.33 8.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.321 0.581 . . . . 0.0 110.031 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -98.04 -40.13 8.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.798 -171.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.457 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -82.43 -12.48 80.37 Favored Glycine 0 C--O 1.23 -0.125 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.629 -169.061 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.2 ttm-85 68.58 -76.32 0.06 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.196 0.599 . . . . 0.0 112.143 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.2 m -113.08 176.24 5.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.023 0.439 . . . . 0.0 111.9 -171.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.498 ' HG2' HD21 ' A' ' 41' ' ' LEU . 52.2 mt-30 -76.36 -20.85 56.8 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.042 177.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -60.0 -22.62 62.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.918 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.533 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -84.54 28.4 0.66 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.671 -176.433 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 53.7 t -107.55 93.19 9.62 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.768 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.533 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 63.4 Cg_endo -92.34 57.9 0.69 Allowed 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 123.205 2.604 . . . . 0.0 112.554 178.073 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -132.01 -71.62 0.54 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.507 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 6.4 tp-100 -156.13 179.21 9.44 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -174.109 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.408 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 99.6 mt-30 -100.08 -77.15 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 176.441 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 46.2 t -68.65 -50.13 58.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.221 0.534 . . . . 0.0 111.128 -173.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.422 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 5.7 m-20 -64.01 -40.87 97.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.638 0.733 . . . . 0.0 109.73 -177.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.507 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -70.4 -34.35 72.44 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.954 -179.124 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.685 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 17.9 ttt180 -56.5 -49.52 74.47 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 176.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.9 m -67.12 -39.07 86.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.059 -173.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -93.71 -57.88 2.43 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -176.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.443 ' CZ3' ' HA ' ' A' ' 26' ' ' GLN . 83.8 t90 -63.74 -43.63 95.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.712 -175.497 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.685 ' HB2' ' O ' ' A' ' 37' ' ' ARG . 17.2 mt -78.68 -17.88 55.26 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.909 -178.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.62 -46.29 94.03 Favored Glycine 0 N--CA 1.44 -1.084 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.571 176.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.99 -34.61 55.4 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.828 176.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -62.08 -49.57 75.41 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.928 0.394 . . . . 0.0 110.694 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -71.48 -29.21 64.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.166 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.27 -47.99 74.78 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.064 -0.346 . . . . 0.0 110.064 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.92 89.63 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.284 176.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.9 mmt-85 -59.56 -60.72 3.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.871 175.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.466 ' HA ' ' HB2' ' A' ' 52' ' ' GLN . 16.1 m-20 -59.48 -20.57 56.27 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -176.095 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -85.86 -32.41 21.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.327 0.584 . . . . 0.0 109.469 -174.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -85.77 -22.55 27.65 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 176.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.653 ' HA ' HD23 ' A' ' 55' ' ' LEU . 39.8 mm-40 -81.45 -18.77 44.14 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.583 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.7 m -68.67 -5.29 19.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.168 176.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -100.59 -4.27 54.82 Favored Glycine 0 CA--C 1.52 0.367 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.653 HD23 ' HA ' ' A' ' 52' ' ' GLN . 4.2 mm? -92.0 26.02 2.61 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -175.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -77.9 27.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.199 0.523 . . . . 0.0 110.5 176.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 55' ' ' LEU . 20.9 ttmm -76.05 0.12 19.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.371 -177.615 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.2 mt -66.56 -67.81 0.42 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.695 -177.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.3 -30.68 10.48 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.825 -176.385 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 55.0 m80 . . . . . 0 C--N 1.323 -0.576 0 CA-C-O 121.232 0.539 . . . . 0.0 110.242 175.765 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.5 mtm . . . . . 0 N--CA 1.482 1.135 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.452 ' O ' ' HG2' ' A' ' 2' ' ' LYS . 57.4 tttp 60.84 43.41 12.0 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.375 0.607 . . . . 0.0 111.233 172.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.493 ' HG3' ' N ' ' A' ' 4' ' ' GLN . 21.2 ptt180 -90.29 -54.31 4.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.789 -0.57 . . . . 0.0 112.463 -175.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.493 ' N ' ' HG3' ' A' ' 3' ' ' ARG . 53.9 mt-30 -138.86 95.95 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.04 0.448 . . . . 0.0 111.999 -170.175 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -109.51 -76.97 0.6 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.314 0.578 . . . . 0.0 110.616 172.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -62.85 -24.99 68.06 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.641 -176.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.488 ' OD1' ' HA ' ' A' ' 4' ' ' GLN . 3.4 m-20 -54.28 -73.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.288 -174.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 8' ' ' ARG . 20.3 ptt-85 -69.7 -19.64 63.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.06 0.457 . . . . 0.0 111.056 -174.402 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 35' ' ' ASP . 42.0 mt -77.91 -41.33 36.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.456 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.486 ' O ' ' HB3' ' A' ' 13' ' ' GLN . 42.6 tt0 -67.51 -28.48 67.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.489 0.661 . . . . 0.0 110.151 178.028 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -76.48 -33.05 58.68 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.451 176.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.88 -28.07 68.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.271 171.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.486 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 32.3 tt0 -64.03 -49.73 71.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.682 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.2 m -69.0 -33.86 74.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.397 176.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -63.73 -43.37 96.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.459 177.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 40' ' ' TRP . . . -59.77 -41.01 97.38 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.829 -179.281 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -58.85 -52.62 64.95 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -59.62 -39.03 82.93 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.62 177.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.12 -19.82 65.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.521 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.97 -33.08 65.7 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.401 -0.904 . . . . 0.0 112.139 174.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.417 HD11 ' HE2' ' A' ' 51' ' ' LYS . 2.0 mm? -92.33 -38.97 11.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.552 0.692 . . . . 0.0 110.287 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -94.62 -43.51 8.26 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.878 -171.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.14 -17.05 58.3 Favored Glycine 0 CA--C 1.506 -0.501 0 C-N-CA 120.114 -1.041 . . . . 0.0 111.073 -175.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.2 ttp-105 68.1 -57.8 0.47 Allowed 'General case' 0 CA--C 1.537 0.444 0 O-C-N 124.568 0.805 . . . . 0.0 112.402 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.3 m -102.28 175.82 5.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.105 0.479 . . . . 0.0 111.863 -175.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -86.19 -8.42 57.82 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.664 0.745 . . . . 0.0 109.396 176.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -69.58 -6.54 31.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.578 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.653 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -88.29 14.36 9.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.549 -178.297 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 41.4 t -97.52 100.3 7.91 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.661 0.267 . . . . 0.0 111.156 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.653 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 29.6 Cg_endo -95.07 14.91 1.18 Allowed 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 123.417 2.745 . . . . 0.0 113.529 176.294 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -92.1 -90.44 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -172.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.545 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 48.3 tt0 -139.21 -177.68 5.02 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -173.131 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -100.95 -77.52 0.54 Allowed 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 88.3 t -65.06 -54.73 25.95 Favored 'Isoleucine or valine' 0 C--O 1.241 0.65 0 CA-C-O 121.373 0.606 . . . . 0.0 111.196 -172.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.459 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 6.2 m-20 -66.07 -43.75 86.47 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.677 -176.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.545 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -64.27 -40.44 95.99 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.391 -178.05 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.43 ' HA ' ' HB2' ' A' ' 41' ' ' LEU . 42.7 mtm105 -57.61 -41.52 81.42 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.446 176.239 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.2 m -65.62 -32.47 74.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.828 -175.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -99.97 -59.73 1.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.109 0.48 . . . . 0.0 112.036 -178.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.415 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 80.1 t90 -66.03 -47.7 73.53 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.205 -175.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.43 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -76.49 -25.46 54.28 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -175.917 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.81 -44.4 98.06 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 174.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.38 -39.3 61.83 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.849 177.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 78.7 t90 -57.51 -52.27 66.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.296 0.569 . . . . 0.0 110.38 178.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -31.59 71.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.524 -177.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 19.8 t70 -68.03 -43.61 78.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.394 -177.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.37 -47.56 78.65 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.51 0.671 . . . . 0.0 110.06 175.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -58.54 -46.66 86.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.818 177.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.623 ' HA ' ' HB2' ' A' ' 52' ' ' GLN . 36.1 t70 -66.04 -15.33 62.95 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.099 -178.266 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 46' ' ' ASP . 14.7 mt-10 -89.62 -25.05 21.49 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.417 ' HE2' HD11 ' A' ' 21' ' ' LEU . 68.7 mttm -88.38 -21.74 24.15 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 173.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.623 ' HB2' ' HA ' ' A' ' 49' ' ' ASP . 55.1 mm-40 -84.36 -67.87 0.76 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 113.98 -1.464 . . . . 0.0 111.445 -177.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.5 m -76.28 -13.19 60.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.01 0.433 . . . . 0.0 110.607 -178.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.93 -23.81 71.02 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.965 -0.635 . . . . 0.0 111.917 176.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -118.6 -76.49 0.57 Allowed 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.896 -0.152 . . . . 0.0 110.631 176.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 71.1 t80 66.94 -60.81 0.35 Allowed 'General case' 0 N--CA 1.465 0.297 0 O-C-N 124.192 0.933 . . . . 0.0 109.823 -174.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 57' ' ' LYS . 56.3 tttm 176.15 22.15 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.697 -1.138 . . . . 0.0 108.927 174.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.1 mt -92.67 164.58 13.34 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.002 0.43 . . . . 0.0 110.817 -173.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -140.66 -41.48 0.41 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.703 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.9 p-80 . . . . . 0 C--N 1.324 -0.505 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 171.623 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 111.492 0.182 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.555 ' O ' ' HB3' ' A' ' 3' ' ' ARG . 87.8 tttt -88.16 92.16 9.05 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.843 -174.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.555 ' HB3' ' O ' ' A' ' 2' ' ' LYS . 11.3 ptt180 171.43 9.92 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.791 0 O-C-N 124.17 0.919 . . . . 0.0 111.111 169.133 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -81.46 5.11 18.72 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -166.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.557 ' O ' ' HG2' ' A' ' 8' ' ' ARG . 44.2 pttt -66.41 -30.08 70.37 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 170.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 6' ' ' ARG . 0.3 OUTLIER -61.29 -36.19 79.4 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.089 176.301 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.567 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 1.4 m-20 -57.87 -56.16 25.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.634 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' A' ' 5' ' ' LYS . 6.8 ptp180 -63.58 -28.1 69.7 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.44 -178.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.531 HD11 ' HB3' ' A' ' 35' ' ' ASP . 98.0 mt -77.27 -37.28 53.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.493 -178.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -69.82 -28.58 65.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.521 0.676 . . . . 0.0 109.543 177.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' A' ' 7' ' ' ASP . 96.5 mtt180 -72.84 -41.51 64.75 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 174.354 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.574 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -62.77 -29.26 70.57 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.095 174.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -68.79 -42.59 77.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.285 0.564 . . . . 0.0 109.581 178.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.5 t -71.21 -44.42 65.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.97 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -61.73 -44.19 97.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.68 178.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.89 -37.02 83.03 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.019 178.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.402 ' CD1' ' HB2' ' A' ' 47' ' ' ALA . 73.7 t80 -58.53 -52.74 64.36 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 176.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.576 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 83.1 tttt -65.74 -31.31 72.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.929 0.395 . . . . 0.0 110.485 177.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.401 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -66.26 -22.39 66.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.296 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.1 -31.32 77.4 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.204 176.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -99.82 -49.23 4.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.118 0.485 . . . . 0.0 110.923 178.374 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -101.0 -25.56 14.02 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.656 -170.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.401 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -81.63 -15.54 75.55 Favored Glycine 0 CA--C 1.505 -0.591 0 C-N-CA 120.055 -1.069 . . . . 0.0 110.776 -178.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.3 mtp85 59.07 -70.64 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.7 m -106.45 163.48 12.83 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.21 0.528 . . . . 0.0 112.144 -171.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.417 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 39.1 mt-30 -74.95 -8.68 57.19 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.064 176.019 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -60.16 -23.6 64.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.394 176.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.643 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -87.22 31.24 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.048 -173.255 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.5 t -104.51 90.87 3.59 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-O 120.846 0.355 . . . . 0.0 110.786 178.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.643 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 40.4 Cg_endo -96.45 -8.36 1.06 Allowed 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.065 2.51 . . . . 0.0 115.113 -177.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -76.3 -45.22 33.45 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 -169.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.707 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 38.0 tp60 -160.31 176.98 11.09 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -177.055 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.43 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 26.0 tp60 -101.22 -75.25 0.59 Allowed 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.116 -0.634 . . . . 0.0 112.039 176.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.6 t -74.74 -50.53 25.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 CA-C-O 121.429 0.633 . . . . 0.0 110.618 -174.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.618 ' HB2' ' HG2' ' A' ' 32' ' ' GLN . 7.0 m-20 -63.07 -37.29 86.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.139 -177.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.707 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -72.01 -28.8 63.62 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.886 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 37' ' ' ARG . 22.5 ttt180 -59.24 -51.35 70.35 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.308 -0.557 . . . . 0.0 109.857 178.124 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.3 m -69.16 -32.99 72.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.047 -176.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.434 ' CG ' ' HB3' ' A' ' 9' ' ' LEU . 43.6 m-85 -87.65 -63.67 1.27 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -178.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.574 ' HB2' ' HB1' ' A' ' 12' ' ' ALA . 80.0 t90 -64.49 -47.48 78.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.238 -174.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 tt -72.95 -25.14 60.92 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -176.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.98 -40.15 95.16 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.462 174.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.91 -33.75 59.61 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.486 174.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 82.3 t90 -59.98 -53.97 51.6 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 177.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -64.61 -28.29 69.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.162 178.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -58.13 -61.61 2.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.182 0.515 . . . . 0.0 109.837 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.402 ' HB2' ' CD1' ' A' ' 17' ' ' TYR . . . -68.1 -37.51 81.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.993 -179.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.6 ' O ' ' HB2' ' A' ' 52' ' ' GLN . 4.7 tpt180 -62.6 -51.68 66.35 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.425 -177.066 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.47 ' HA ' ' HB3' ' A' ' 52' ' ' GLN . 1.7 m-20 -71.24 -23.67 62.04 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -177.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -74.74 -34.13 62.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.587 0.708 . . . . 0.0 109.285 -176.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -91.53 -11.5 37.2 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.6 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 6.4 tp60 -78.56 -68.44 0.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.497 -1.229 . . . . 0.0 111.045 -178.351 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.8 p -84.72 -27.39 27.02 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.223 -177.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.17 -25.15 62.27 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.163 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.2 mt 63.39 9.36 4.05 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.129 0.571 . . . . 0.0 112.121 177.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 76.9 t80 67.23 2.6 2.87 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.317 0.58 . . . . 0.0 111.463 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -109.06 20.67 18.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.565 0.698 . . . . 0.0 109.955 -178.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 pp -70.78 156.08 39.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.79 177.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -67.57 99.4 0.76 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.48 -174.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.465 0.29 0 O-C-N 124.004 0.815 . . . . 0.0 110.42 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.7 ttp-105 . . . . . 0 C--O 1.221 -0.427 0 CA-C-O 120.01 -0.043 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -48.18 -62.22 1.59 Allowed 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -172.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -68.33 -19.76 64.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.738 0.304 . . . . 0.0 111.259 -172.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.401 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 96.1 mt -89.76 -34.75 16.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.987 0.422 . . . . 0.0 110.581 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.42 -34.86 73.01 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.119 177.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.4 mtm-85 -91.92 -26.58 18.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.441 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 9' ' ' LEU . . . -63.28 -30.93 71.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.848 171.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -60.02 -42.74 95.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.281 178.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.3 m -79.2 -39.21 33.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.558 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.643 ' HG2' ' HE2' ' A' ' 31' ' ' TYR . 5.8 tp-100 -60.68 -43.36 97.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.72 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.99 -40.36 98.36 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.159 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -60.44 -49.75 76.34 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -63.01 -36.34 83.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.449 178.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.15 -21.92 66.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.969 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.78 -43.23 92.19 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.523 -0.846 . . . . 0.0 111.903 174.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -85.58 -48.38 8.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.227 0.537 . . . . 0.0 110.787 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -98.22 -37.48 9.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.572 -172.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.39 -10.72 83.15 Favored Glycine 0 CA--C 1.51 -0.243 0 C-N-CA 120.285 -0.96 . . . . 0.0 112.451 -169.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 64.93 -64.52 0.16 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.791 0.836 . . . . 0.0 112.656 -177.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.6 m -120.01 176.65 5.32 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -166.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.548 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 9.6 mt-30 -85.56 -5.92 59.23 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.939 178.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -62.96 -21.13 65.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.212 -0.903 . . . . 0.0 110.048 177.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.696 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -101.09 40.28 1.3 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.542 -175.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.1 p -106.67 81.95 0.96 Allowed Pre-proline 0 CA--C 1.543 0.71 0 CA-C-O 121.093 0.473 . . . . 0.0 110.749 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.696 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 48.0 Cg_endo -97.41 41.97 0.1 Allowed 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 123.24 2.627 . . . . 0.0 114.107 -170.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.643 ' HE2' ' HG2' ' A' ' 15' ' ' GLN . 96.9 m-85 -119.36 -105.9 0.38 Allowed 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.73 178.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.57 ' HG2' ' HB2' ' A' ' 35' ' ' ASP . 41.0 tp60 -93.52 177.96 5.86 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 176.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.414 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 76.8 mt-30 -101.62 -75.36 0.59 Allowed 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.93 -0.481 . . . . 0.0 111.176 174.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.512 ' O ' ' HB3' ' A' ' 37' ' ' ARG . 58.5 t -70.51 -46.98 67.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-O 121.5 0.667 . . . . 0.0 111.645 -174.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.57 ' HB2' ' HG2' ' A' ' 32' ' ' GLN . 8.3 m-20 -69.92 -25.99 63.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.934 -178.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 40' ' ' TRP . . . -78.66 -25.03 44.86 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.046 177.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.512 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 22.8 ttt85 -59.09 -53.84 53.79 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 171.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.2 p -70.55 -24.34 62.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.615 -175.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -96.95 -69.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.027 0.442 . . . . 0.0 112.032 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.548 ' CH2' ' HA ' ' A' ' 26' ' ' GLN . 68.4 t90 -61.21 -45.01 96.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.336 -175.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.441 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 0.5 OUTLIER -76.07 -21.78 56.35 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-O 121.197 0.523 . . . . 0.0 110.035 -175.164 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.29 -47.81 61.82 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.27 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.89 -34.21 71.25 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.656 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 84.5 t90 -58.06 -53.82 53.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.882 0.372 . . . . 0.0 110.52 178.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 49.2 mtm105 -63.36 -36.62 84.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.094 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -66.31 -50.45 63.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.807 -177.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.427 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.27 -179.539 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 33.0 ttt180 . . . . . 0 C--O 1.22 -0.495 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -58.13 -52.18 66.62 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 122.183 0.992 . . . . 0.0 110.077 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -64.36 -39.49 93.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.143 -1.389 . . . . 0.0 110.941 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.501 ' CD2' ' HA ' ' A' ' 36' ' ' ALA . 79.5 mt -78.98 -22.74 45.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.365 -178.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 5.1 tp10 -60.18 -38.91 84.7 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 172.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -75.76 -41.23 53.76 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 114.502 -1.226 . . . . 0.0 109.485 177.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' A' ' 9' ' ' LEU . . . -55.82 -33.98 64.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.873 175.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -73.37 -45.76 53.06 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.819 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -70.41 -37.7 74.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.863 0.363 . . . . 0.0 110.339 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -73.0 -29.26 62.89 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.38 -45.83 95.45 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.423 ' CD2' ' HB2' ' A' ' 47' ' ' ALA . 45.5 t80 -56.6 -50.45 71.94 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 175.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -61.95 -35.23 77.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.869 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.54 -20.27 66.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.15 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.63 84.83 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.062 -1.066 . . . . 0.0 111.549 171.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -91.85 -39.01 11.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.554 0.693 . . . . 0.0 109.845 178.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.0 -46.64 11.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.932 -1.031 . . . . 0.0 112.504 -173.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.09 -29.62 6.72 Favored Glycine 0 CA--C 1.51 -0.256 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.666 -170.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 73.4 -43.26 0.55 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.753 0.821 . . . . 0.0 112.64 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 62.5 m -104.91 164.48 11.76 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.981 0.42 . . . . 0.0 111.924 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -77.43 -17.01 58.5 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.108 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -68.51 -3.37 11.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.82 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.596 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -88.01 20.3 3.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.545 177.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 48.5 t -102.12 92.16 2.94 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.139 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.596 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 83.2 Cg_endo -85.81 -14.26 5.39 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.071 2.514 . . . . 0.0 114.668 -175.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.417 ' HE2' ' CD1' ' A' ' 40' ' ' TRP . 2.5 m-85 -70.18 -71.32 0.25 Allowed 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.826 0.822 . . . . 0.0 111.507 -172.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.576 ' HG2' ' H ' ' A' ' 33' ' ' GLN . 43.9 tt0 -149.41 179.62 7.81 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 -176.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.576 ' H ' ' HG2' ' A' ' 32' ' ' GLN . 80.3 mt-30 -98.17 -75.79 0.54 Allowed 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 120.084 -0.646 . . . . 0.0 112.072 173.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 76.9 t -59.79 -58.68 6.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -169.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -70.18 -44.0 69.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.734 0.778 . . . . 0.0 109.362 -174.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.501 ' HA ' ' CD2' ' A' ' 9' ' ' LEU . . . -53.58 -53.21 55.04 Favored 'General case' 0 C--O 1.213 -0.848 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.858 177.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -66.06 -22.24 66.41 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -177.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.5 m -67.87 -32.72 73.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.119 0.485 . . . . 0.0 109.799 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -95.91 -50.29 4.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.345 0.593 . . . . 0.0 111.911 174.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.417 ' CD1' ' HE2' ' A' ' 31' ' ' TYR . 72.7 t90 -69.14 -53.15 21.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.536 -171.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.463 ' O ' HD23 ' A' ' 41' ' ' LEU . 2.6 tt -67.08 -33.27 75.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.734 0.302 . . . . 0.0 110.686 -171.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.11 -47.54 90.3 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.772 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.01 -34.17 65.09 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.69 -0.766 . . . . 0.0 111.645 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -58.25 -53.9 53.04 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.673 0.273 . . . . 0.0 111.169 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 50.2 ttp85 -66.99 -36.9 83.2 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -176.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -59.05 -47.73 84.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.684 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.423 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . . . . . . . . 0 C--O 1.24 0.564 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.078 178.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 . . . . . 0 C--O 1.222 -0.364 0 CA-C-O 120.495 0.188 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -54.59 -67.29 0.28 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.574 0.702 . . . . 0.0 111.615 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.6 ptt-85 -79.46 -10.56 59.83 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.955 -173.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.566 HD11 ' HB3' ' A' ' 35' ' ' ASP . 64.2 mt -82.23 -33.56 29.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.022 0.439 . . . . 0.0 110.099 172.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -60.66 -38.98 86.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.619 173.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -85.74 -30.25 23.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.689 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.601 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -60.48 -32.88 71.84 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.436 172.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -62.4 -47.52 83.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.469 0.652 . . . . 0.0 109.633 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.5 m -71.24 -41.98 69.43 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.051 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.86 ' HA ' HE21 ' A' ' 15' ' ' GLN . 0.0 OUTLIER -61.62 -42.49 98.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.53 177.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.48 -43.66 95.79 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.573 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.423 ' CD1' ' HB2' ' A' ' 47' ' ' ALA . 69.3 t80 -63.93 -39.3 93.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.132 0.491 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 70.8 tttt -74.59 -17.62 60.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.193 0.521 . . . . 0.0 110.105 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.41 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -85.28 -24.23 27.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.429 -175.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.18 -35.92 92.24 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 119.912 -1.137 . . . . 0.0 110.975 172.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.484 ' CD2' ' HB1' ' A' ' 47' ' ' ALA . 0.3 OUTLIER -83.61 -55.53 4.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.446 0.641 . . . . 0.0 109.603 178.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 33.7 m-80 -94.41 -36.8 11.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.027 -0.988 . . . . 0.0 113.08 -170.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.41 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -80.5 -21.69 63.85 Favored Glycine 0 CA--C 1.511 -0.189 0 C-N-CA 120.226 -0.988 . . . . 0.0 111.759 -171.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 60.68 -63.24 0.07 Allowed 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.791 1.236 . . . . 0.0 113.297 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 m -99.45 167.77 10.41 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.087 0.47 . . . . 0.0 111.478 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.542 ' NE2' HD11 ' A' ' 41' ' ' LEU . 11.8 mt-30 -78.99 -12.97 60.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.927 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -77.51 14.7 0.93 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.428 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.598 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -108.45 24.29 13.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.289 177.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.8 t -102.9 94.46 5.34 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.442 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.598 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 42.8 Cg_endo -93.33 26.15 0.38 Allowed 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 123.497 2.798 . . . . 0.0 113.646 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.77 ' HE2' ' HG2' ' A' ' 15' ' ' GLN . 89.6 m-85 -108.92 -46.03 3.69 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -175.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.594 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 6.5 tp60 -176.77 175.76 1.6 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -173.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.477 ' O ' ' HB2' ' A' ' 37' ' ' ARG . 49.5 mt-30 -101.08 -73.89 0.63 Allowed 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 174.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.4 t -71.57 -48.22 53.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 121.103 0.478 . . . . 0.0 111.24 -173.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.574 ' HB2' ' HG2' ' A' ' 32' ' ' GLN . 5.9 m-20 -67.27 -38.61 85.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.829 0.823 . . . . 0.0 109.402 -178.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.594 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -72.03 -26.17 62.09 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.6 178.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 19.4 ttt180 -61.97 -50.22 72.96 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.2 p -71.06 -29.79 65.77 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.716 -175.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -95.29 -63.58 1.15 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.57 -0.452 . . . . 0.0 112.128 178.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.601 ' HB2' ' HB1' ' A' ' 12' ' ' ALA . 85.1 t90 -64.68 -45.97 84.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.534 -174.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.542 HD11 ' NE2' ' A' ' 26' ' ' GLN . 1.5 tt -75.67 -25.8 57.08 Favored 'General case' 0 C--N 1.334 -0.07 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -173.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.14 -48.9 75.89 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.603 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.87 -35.02 72.13 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.489 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -57.21 -50.67 72.14 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 176.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.428 ' O ' ' HD3' ' A' ' 45' ' ' ARG . 2.7 tmt_? -58.72 -45.08 90.39 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.511 -177.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -55.58 -58.95 5.66 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.511 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.484 ' HB1' ' CD2' ' A' ' 21' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.674 -178.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 ttp-105 . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.688 0.28 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -57.65 -57.15 13.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.787 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -70.9 -21.74 62.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.479 -177.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.5 mt -77.68 -41.5 37.85 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.463 0.171 . . . . 0.0 111.463 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -71.14 -22.12 62.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.239 0.542 . . . . 0.0 110.03 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -75.93 -40.09 54.87 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 174.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.74 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -64.16 -33.53 76.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.21 174.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -59.65 -48.25 82.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.478 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -74.85 -41.21 60.3 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.304 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -60.56 -40.93 93.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.412 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.23 -42.16 98.57 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.861 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -64.42 -37.95 89.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.095 0.474 . . . . 0.0 110.22 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -76.17 -23.72 54.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.029 0.442 . . . . 0.0 110.284 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.89 -20.3 42.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.713 -176.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.455 ' HA3' ' HB3' ' A' ' 47' ' ' ALA . . . -71.1 -20.39 77.92 Favored Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 119.904 -1.141 . . . . 0.0 111.213 173.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.69 -49.71 4.09 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.497 0.665 . . . . 0.0 109.644 178.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.23 -37.63 11.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.901 -1.045 . . . . 0.0 112.423 -174.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.06 -17.54 67.05 Favored Glycine 0 CA--C 1.51 -0.272 0 C-N-CA 120.208 -0.996 . . . . 0.0 112.251 -170.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 61.08 -68.51 0.05 OUTLIER 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.19 0.996 . . . . 0.0 113.36 -178.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.9 m -94.98 173.59 7.51 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.131 0.491 . . . . 0.0 111.34 -174.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.426 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 55.7 mt-30 -84.38 -9.48 58.39 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.605 0.717 . . . . 0.0 109.292 174.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -68.69 -10.02 53.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.004 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.568 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -86.08 16.97 3.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.492 -178.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.6 t -102.2 96.32 6.89 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.97 0.414 . . . . 0.0 110.995 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.568 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 58.4 Cg_endo -89.26 -2.73 6.08 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 122.787 2.324 . . . . 0.0 113.216 177.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -76.25 -62.5 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -171.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -167.65 -176.55 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 -176.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.597 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 83.7 mm-40 -102.51 -76.91 0.57 Allowed 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 178.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.4 t -61.31 -58.94 5.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.55 0.691 . . . . 0.0 111.634 -172.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -68.7 -33.2 73.55 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.446 -173.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.417 ' O ' ' HB3' ' A' ' 40' ' ' TRP . . . -71.78 -27.74 63.16 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.493 179.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.622 ' HA ' ' HB2' ' A' ' 41' ' ' LEU . 95.3 mtt180 -64.31 -46.34 83.98 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 119.873 -0.731 . . . . 0.0 110.036 175.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.3 m -64.32 -32.15 73.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.137 -177.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -94.81 -66.04 0.94 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.094 0.473 . . . . 0.0 111.963 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.74 ' HB2' ' HB1' ' A' ' 12' ' ' ALA . 77.3 t90 -65.31 -49.29 70.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.51 -175.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.622 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 1.2 tt -75.96 -31.76 59.2 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -171.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.84 -46.22 94.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.41 174.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.67 -35.21 73.69 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.711 175.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -59.35 -43.29 92.82 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 122.409 0.283 . . . . 0.0 110.661 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' ' 41' ' ' LEU . 62.4 mtp180 -69.09 -33.01 72.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.096 -179.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -68.82 -43.46 75.54 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.33 0.586 . . . . 0.0 109.677 175.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.455 ' HB3' ' HA3' ' A' ' 20' ' ' GLY . . . . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.642 175.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.953 0.406 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -51.81 -60.16 3.49 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.063 178.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -69.34 -27.51 65.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.572 -176.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.2 mt -74.79 -38.53 62.11 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.969 -0.293 . . . . 0.0 111.46 -178.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 13' ' ' GLN . 43.5 tt0 -67.2 -29.76 69.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.67 0.748 . . . . 0.0 109.474 173.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -70.99 -39.56 72.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.187 -0.915 . . . . 0.0 108.829 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.51 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -63.95 -30.64 71.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.286 173.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.405 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 29.6 tt0 -63.69 -50.54 68.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.051 0.453 . . . . 0.0 109.977 177.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.3 m -65.5 -37.71 87.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.45 177.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -65.07 -43.26 92.81 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.783 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.3 -37.72 94.25 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 112.213 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -64.52 -40.73 96.17 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -69.12 -30.4 68.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.401 175.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.475 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -76.21 -22.72 54.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.496 -177.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.463 ' HA3' ' HB3' ' A' ' 47' ' ' ALA . . . -69.72 -22.83 76.93 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.395 -0.907 . . . . 0.0 111.664 174.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.413 ' CD2' ' HB1' ' A' ' 47' ' ' ALA . 0.2 OUTLIER -98.79 -47.41 5.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.363 0.601 . . . . 0.0 109.452 177.768 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -100.12 -37.69 8.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.926 -1.033 . . . . 0.0 112.849 -171.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -77.55 -22.12 70.7 Favored Glycine 0 CA--C 1.507 -0.453 0 C-N-CA 120.103 -1.046 . . . . 0.0 111.766 -171.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 66.24 -61.25 0.29 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.589 0.756 . . . . 0.0 112.7 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.6 m -105.17 172.61 6.7 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.005 0.431 . . . . 0.0 111.746 -174.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -81.17 -14.27 57.77 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-O 121.647 0.737 . . . . 0.0 109.221 175.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -58.17 -10.94 2.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.418 -1.264 . . . . 0.0 111.105 177.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.479 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -92.01 22.41 4.34 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.688 -177.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 47.4 t -108.81 90.46 7.6 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-O 120.946 0.403 . . . . 0.0 111.231 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.479 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 52.1 Cg_endo -91.14 16.81 1.51 Allowed 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 123.199 2.599 . . . . 0.0 113.861 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -100.73 -68.33 0.82 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.003 0.43 . . . . 0.0 112.149 -172.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.523 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 6.3 tp-100 -154.66 176.29 12.61 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -175.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.419 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 6.7 tp-100 -101.14 -76.01 0.57 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.905 176.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.9 t -63.97 -54.93 25.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 121.4 0.619 . . . . 0.0 111.373 -173.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.84 -42.64 99.82 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.845 0.831 . . . . 0.0 109.521 -177.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.523 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -70.67 -28.84 65.09 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.783 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.563 ' HA ' ' HB2' ' A' ' 41' ' ' LEU . 32.7 ttt85 -57.97 -49.08 78.03 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 174.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.6 t -63.86 -41.46 97.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.526 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -89.0 -60.75 1.87 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.51 ' HB2' ' HB1' ' A' ' 12' ' ' ALA . 73.9 t90 -70.6 -50.26 39.04 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.433 -174.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.563 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 2.1 tt -76.32 -34.07 59.02 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -170.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.84 -43.62 97.81 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.825 -0.703 . . . . 0.0 111.427 174.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.5 -36.03 82.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.87 177.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -57.14 -47.67 80.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.83 0.348 . . . . 0.0 110.547 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -66.88 -36.56 82.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.213 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -71.15 -40.65 71.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.851 0.358 . . . . 0.0 110.471 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.463 ' HB3' ' HA3' ' A' ' 20' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.818 177.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 6' ' ' ARG . 23.1 ttt180 . . . . . 0 C--O 1.225 -0.227 0 CA-C-O 120.385 0.136 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -51.06 -59.98 3.59 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.7 0.762 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 49.7 ptt85 -71.5 -14.67 62.19 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.933 -174.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.541 HD21 ' OD1' ' A' ' 35' ' ' ASP . 57.9 mt -89.83 -49.12 6.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.534 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -66.72 -29.59 69.61 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.404 0.621 . . . . 0.0 109.726 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -84.54 -27.49 27.31 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.204 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -64.73 -33.06 75.07 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.063 0.458 . . . . 0.0 109.766 168.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -63.01 -41.52 99.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.063 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -81.49 -39.14 25.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.826 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.479 ' NE2' ' HE1' ' A' ' 40' ' ' TRP . 0.7 OUTLIER -71.44 -25.66 62.4 Favored 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.327 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.95 -37.38 94.2 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 173.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.549 ' CD1' ' HB2' ' A' ' 47' ' ' ALA . 64.8 t80 -63.52 -45.93 88.36 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 174.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -60.4 -35.52 75.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.277 174.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.11 -36.75 72.28 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.207 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.08 -29.85 75.77 Favored Glycine 0 C--N 1.315 -0.587 0 C-N-CA 120.126 -1.035 . . . . 0.0 111.83 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.651 HD13 ' HB1' ' A' ' 47' ' ' ALA . 2.0 mp -80.19 -52.65 7.49 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.538 0.685 . . . . 0.0 110.616 177.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -100.69 -41.83 6.76 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.768 -1.105 . . . . 0.0 112.274 -168.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.57 -20.92 59.14 Favored Glycine 0 CA--C 1.501 -0.785 0 C-N-CA 120.041 -1.076 . . . . 0.0 110.842 -169.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 64.58 -58.61 0.24 Allowed 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 114.366 -0.917 . . . . 0.0 112.734 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.0 m -94.56 175.45 6.67 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.071 0.462 . . . . 0.0 112.13 -170.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -85.71 -16.34 39.3 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.679 177.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -57.09 -18.77 15.94 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.769 177.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.471 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -82.21 20.02 1.1 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.09 -176.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.8 t -107.59 92.84 9.11 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 111.284 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.471 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 43.1 Cg_endo -92.33 41.77 0.31 Allowed 'Trans proline' 0 CA--C 1.533 0.461 0 C-N-CA 123.194 2.596 . . . . 0.0 113.091 176.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -113.14 -86.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -175.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.554 ' HG3' ' H ' ' A' ' 33' ' ' GLN . 51.0 tp60 -152.41 -178.16 6.66 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -170.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.554 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 53.0 tt0 -99.57 -76.24 0.55 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 118.367 0.531 . . . . 0.0 112.39 175.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 67.5 t -57.0 -62.07 1.03 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.834 0 CA-C-O 121.554 0.692 . . . . 0.0 112.012 -170.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.541 ' OD1' HD21 ' A' ' 9' ' ' LEU . 1.1 p30 -68.86 -34.4 75.39 Favored 'General case' 0 CA--C 1.497 -1.077 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.801 -173.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 32' ' ' GLN . . . -70.21 -33.15 71.33 Favored 'General case' 0 N--CA 1.427 -1.614 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.327 -175.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.592 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 89.2 mtt-85 -58.36 -47.85 82.47 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 173.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.1 t -64.64 -31.49 72.74 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.258 -174.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -100.76 -55.4 2.59 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -177.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.479 ' HE1' ' NE2' ' A' ' 15' ' ' GLN . 70.3 t90 -66.21 -42.18 89.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.232 -173.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.592 ' HB2' ' O ' ' A' ' 37' ' ' ARG . 23.5 mt -71.82 -22.3 61.57 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.963 -177.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.21 -47.56 63.62 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.286 -0.959 . . . . 0.0 111.275 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.65 -33.42 63.56 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.82 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -63.55 -50.77 68.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.432 0.158 . . . . 0.0 110.592 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 45' ' ' ARG . 46.3 mtm180 -64.07 -36.87 85.43 Favored 'General case' 0 CA--C 1.521 -0.172 0 C-N-CA 121.216 -0.194 . . . . 0.0 111.044 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.36 -58.62 7.72 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.651 ' HB1' HD13 ' A' ' 21' ' ' LEU . . . . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.795 -179.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.474 ' HA ' HD12 ' A' ' 9' ' ' LEU . 24.9 ttm-85 . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 120.921 0.391 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -55.18 -46.89 75.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.681 178.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -81.38 -6.33 58.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.99 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 6' ' ' ARG . 71.0 mt -87.36 -39.7 15.07 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 175.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -64.41 -30.59 71.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.823 0.82 . . . . 0.0 109.036 171.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -39.76 58.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.591 -1.186 . . . . 0.0 108.992 177.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.627 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -63.68 -25.41 68.2 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.666 176.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -64.13 -49.19 73.14 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.0 m -67.2 -38.05 84.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.25 0.548 . . . . 0.0 110.367 177.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.493 ' HG2' ' HE2' ' A' ' 31' ' ' TYR . 7.1 tp60 -65.09 -39.24 92.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.607 178.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.83 -37.83 88.78 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.971 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -58.07 -48.18 80.92 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 174.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -62.48 -34.74 77.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.517 176.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.408 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -70.04 -23.59 63.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.132 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.4 -33.75 64.12 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.171 -1.014 . . . . 0.0 111.423 174.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.79 -60.92 2.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.556 0.693 . . . . 0.0 110.184 176.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -100.27 -30.99 11.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.73 -1.123 . . . . 0.0 112.819 -170.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.408 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -71.71 -20.45 78.61 Favored Glycine 0 C--O 1.235 0.191 0 C-N-CA 120.322 -0.942 . . . . 0.0 112.252 -170.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 69.03 -55.48 0.55 Allowed 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.435 0.694 . . . . 0.0 112.756 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.4 m -128.76 173.69 10.12 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -172.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.433 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 6.4 mt-30 -79.91 -15.7 56.79 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.933 178.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -59.01 -19.23 41.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.737 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.583 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -85.4 27.38 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.143 -176.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.5 t -105.26 94.41 8.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.004 0.431 . . . . 0.0 110.863 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.583 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 40.6 Cg_endo -95.8 17.55 0.74 Allowed 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.241 2.628 . . . . 0.0 114.493 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.493 ' HE2' ' HG2' ' A' ' 15' ' ' GLN . 71.2 m-85 -99.4 -85.81 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.053 0.454 . . . . 0.0 112.223 -174.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.597 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 49.8 tp60 -124.89 177.76 5.85 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -176.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.46 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 89.5 mt-30 -101.13 -76.23 0.57 Allowed 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.874 177.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 67.6 t -70.68 -50.38 44.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.31 0.576 . . . . 0.0 110.734 -175.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.528 ' HB2' ' HG2' ' A' ' 32' ' ' GLN . 1.5 m-20 -61.02 -45.06 96.32 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.487 -178.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.597 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -65.74 -31.56 72.62 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 114.671 -1.15 . . . . 0.0 111.119 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -60.16 -50.89 71.88 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.857 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.0 p -67.2 -27.48 67.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.229 -174.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -99.98 -63.93 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.627 ' HB2' ' HB1' ' A' ' 12' ' ' ALA . 83.3 t90 -61.22 -49.17 78.23 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.042 -177.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 41' ' ' LEU . 1.3 tt -79.56 -22.69 43.48 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 -175.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.59 -43.83 97.43 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.816 -0.706 . . . . 0.0 111.372 173.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.71 -36.29 61.97 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.683 175.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 85.9 t90 -58.63 -51.29 70.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.168 0.508 . . . . 0.0 110.23 176.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 45' ' ' ARG . 1.3 mmm180 -61.91 -34.55 76.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.151 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.74 -56.44 10.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.091 0.472 . . . . 0.0 110.447 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.407 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.585 -177.613 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.504 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 51.5 ttm-85 . . . . . 0 CA--C 1.52 -0.205 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -49.05 -53.27 20.98 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.804 0.811 . . . . 0.0 110.462 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -59.67 -33.36 71.46 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.526 -177.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 35' ' ' ASP . 53.5 mt -85.91 -32.24 21.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.745 -177.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 6' ' ' ARG . 22.1 mm-40 -59.73 -31.61 69.78 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.433 0.635 . . . . 0.0 109.773 174.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 11' ' ' ARG . 13.2 mtp180 -88.44 -32.8 18.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.163 178.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 9' ' ' LEU . . . -59.14 -30.32 68.06 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.477 175.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -66.58 -51.43 56.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.386 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.7 m -65.44 -35.09 79.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.368 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -62.9 -45.95 90.1 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.948 176.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.92 -34.29 89.54 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.128 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.491 ' HE1' ' OD2' ' A' ' 46' ' ' ASP . 8.1 t80 -62.45 -49.34 75.8 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -64.7 -32.07 73.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.22 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.439 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -71.74 -14.65 62.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.808 176.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.01 -33.81 56.66 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.572 174.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -91.44 -43.2 9.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.47 0.653 . . . . 0.0 110.214 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -100.36 -38.12 8.58 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.388 -0.824 . . . . 0.0 112.87 -173.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.439 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -76.25 -17.83 79.71 Favored Glycine 0 CA--C 1.511 -0.209 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.235 -171.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 69.11 -63.77 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 123.688 0.795 . . . . 0.0 112.642 177.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.7 m -111.82 169.35 8.89 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.002 0.43 . . . . 0.0 111.718 -171.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.474 ' OE1' HD21 ' A' ' 41' ' ' LEU . 25.4 mt-30 -86.5 -6.55 58.87 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.736 0.779 . . . . 0.0 109.076 177.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.76 12.54 1.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.541 -1.209 . . . . 0.0 110.093 -179.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.662 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -117.33 27.88 8.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.723 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 44.1 t -102.89 90.71 2.47 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.812 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.662 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 49.3 Cg_endo -92.94 3.08 3.53 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.967 2.445 . . . . 0.0 114.527 -175.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -77.5 -68.65 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -173.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.562 HE21 ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -146.41 -171.92 3.84 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -174.341 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.505 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 45.3 mt-30 -100.98 -76.92 0.55 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.186 0.517 . . . . 0.0 111.7 175.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.9 t -74.24 -47.94 38.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.826 -173.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.456 ' O ' ' HD1' ' A' ' 39' ' ' TYR . 10.9 m-20 -64.72 -44.33 90.53 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.572 -178.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.91 -32.36 73.82 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.228 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.455 HH11 ' HD3' ' A' ' 37' ' ' ARG . 37.2 ttt180 -59.62 -51.34 70.22 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.755 0.312 . . . . 0.0 110.163 176.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 t -68.32 -30.63 69.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.5 -172.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.456 ' HD1' ' O ' ' A' ' 35' ' ' ASP . 65.9 m-85 -92.44 -68.77 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.18 0.514 . . . . 0.0 111.75 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 59.5 t90 -63.92 -48.73 75.4 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.04 -174.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.474 HD21 ' OE1' ' A' ' 26' ' ' GLN . 5.1 tt -78.59 -33.74 47.31 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -172.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.86 -43.55 99.14 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 173.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.93 -37.81 93.61 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.808 175.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -57.64 -53.52 57.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.701 0.286 . . . . 0.0 110.522 177.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -64.92 -36.71 85.24 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.062 -178.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.491 ' OD2' ' HE1' ' A' ' 17' ' ' TYR . 35.3 t70 -62.35 -50.34 71.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.973 0.416 . . . . 0.0 110.008 179.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.043 178.334 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 . . . . . 0 C--O 1.224 -0.243 0 CA-C-O 120.728 0.299 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.84 -63.72 1.2 Allowed 'General case' 0 C--O 1.24 0.581 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.638 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -66.93 -28.71 68.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.737 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' A' ' 35' ' ' ASP . 68.2 mt -71.53 -37.71 71.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.415 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -60.07 -39.77 87.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.309 0.575 . . . . 0.0 109.556 175.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -75.33 -39.56 59.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.346 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.446 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -59.67 -28.92 67.69 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.827 176.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -71.57 -45.72 61.45 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.072 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.9 m -70.26 -39.52 74.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.409 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -43.16 74.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.776 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.21 -37.47 93.0 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.013 177.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -55.88 -54.37 45.49 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 174.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -67.48 -30.28 69.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.378 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.43 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -66.54 -16.36 64.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.93 0.395 . . . . 0.0 111.012 177.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.92 -34.14 71.01 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.196 -1.002 . . . . 0.0 111.539 171.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -92.46 -41.85 10.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.501 0.667 . . . . 0.0 110.118 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -95.29 -41.82 8.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.479 -173.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.43 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -77.38 -26.79 60.76 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.288 -0.958 . . . . 0.0 111.365 -175.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.2 ttp85 67.43 -55.07 0.47 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.85 0.86 . . . . 0.0 112.472 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.9 m -103.71 -177.86 3.49 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.741 0.305 . . . . 0.0 111.076 -177.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -97.21 -16.42 20.4 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 122.018 0.913 . . . . 0.0 108.619 -177.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.75 0.41 5.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.093 -1.412 . . . . 0.0 111.166 179.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.594 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -91.33 21.91 4.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.542 176.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.8 t -104.67 92.33 4.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.719 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.594 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 62.0 Cg_endo -92.77 8.4 2.73 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 123.163 2.576 . . . . 0.0 113.383 178.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -82.78 -70.72 0.53 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -174.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.555 ' HG2' ' HB2' ' A' ' 35' ' ' ASP . 48.1 tp60 -153.09 179.96 8.24 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -172.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.407 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 54.5 tp60 -100.59 -75.84 0.57 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.848 174.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.9 t -72.26 -47.49 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.213 0.53 . . . . 0.0 110.84 -172.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.627 ' HB3' HD11 ' A' ' 9' ' ' LEU . 2.0 m-20 -60.94 -48.22 82.81 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.844 0.83 . . . . 0.0 109.562 178.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.539 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -66.93 -32.86 74.39 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.046 -178.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -55.76 -47.97 76.08 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.1 t -61.8 -44.76 96.23 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.391 -175.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -94.66 -56.16 2.88 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -175.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.446 ' HB2' ' HB1' ' A' ' 12' ' ' ALA . 66.4 t90 -65.49 -46.88 77.98 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.695 -176.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.54 -26.04 50.69 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -177.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.43 -51.16 58.27 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.432 174.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.99 -31.32 77.7 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 121.128 -0.558 . . . . 0.0 111.824 176.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 29.5 t90 -59.4 -48.5 81.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.036 0.446 . . . . 0.0 109.876 176.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.408 ' HD3' HH11 ' A' ' 45' ' ' ARG . 11.5 mmm-85 -70.22 -36.65 74.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.027 177.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -57.81 -48.16 80.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.33 0.586 . . . . 0.0 110.01 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.249 176.783 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 6' ' ' ARG . 6.1 tpt180 . . . . . 0 C--O 1.222 -0.359 0 CA-C-O 120.681 0.277 . . . . 0.0 110.781 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -55.15 -60.4 3.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.407 0.622 . . . . 0.0 110.66 177.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -77.74 -20.81 52.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.439 -174.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.598 HD11 ' HB3' ' A' ' 35' ' ' ASP . 23.9 mt -82.16 -46.28 14.01 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -66.14 -31.04 71.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.835 0.826 . . . . 0.0 109.28 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -77.63 -34.89 53.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.82 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.4 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -65.39 -28.94 69.62 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.238 173.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.13 -45.17 74.33 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.9 t -66.56 -44.93 80.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.189 175.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -59.65 -42.91 93.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.789 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.447 ' O ' ' HA ' ' A' ' 44' ' ' TRP . . . -62.76 -42.54 99.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.269 -0.491 . . . . 0.0 112.09 178.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -58.08 -50.41 73.55 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -62.79 -35.01 78.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.543 176.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.49 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -66.15 -20.91 66.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.072 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.03 -41.81 92.78 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.319 -0.943 . . . . 0.0 111.571 173.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -84.74 -48.31 9.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.93 0.395 . . . . 0.0 110.457 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.84 -39.13 8.35 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -173.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.49 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -71.26 -25.46 75.47 Favored Glycine 0 CA--C 1.512 -0.139 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.876 -171.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 ttp85 68.88 -65.68 0.28 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.58 0.752 . . . . 0.0 112.411 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.0 m -104.46 171.19 7.47 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.065 0.46 . . . . 0.0 111.724 -174.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.477 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 10.4 mt-30 -91.08 -11.68 37.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.498 0.666 . . . . 0.0 110.072 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -67.86 -8.88 40.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.211 176.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.679 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -88.86 23.61 2.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.398 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.9 t -100.15 94.75 3.47 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-O 120.952 0.406 . . . . 0.0 110.548 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.679 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 38.0 Cg_endo -94.47 34.39 0.18 Allowed 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 123.472 2.781 . . . . 0.0 113.57 -178.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -111.12 -81.26 0.58 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -175.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.436 ' CG ' ' H ' ' A' ' 33' ' ' GLN . 27.7 tt0 -150.77 -172.73 4.27 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -172.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.436 ' H ' ' CG ' ' A' ' 32' ' ' GLN . 14.4 mt-30 -100.53 -77.41 0.54 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 118.302 0.501 . . . . 0.0 112.134 -179.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.0 t -67.41 -54.66 21.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 121.339 0.59 . . . . 0.0 111.066 -173.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.598 ' HB3' HD11 ' A' ' 9' ' ' LEU . 3.1 m-20 -60.88 -48.56 81.26 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.07 -176.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.23 -30.45 71.5 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.25 -1.341 . . . . 0.0 111.488 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 66.6 ttt180 -59.7 -53.88 52.84 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 178.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.2 m -70.34 -25.26 63.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.432 -174.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -96.33 -58.3 2.1 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.477 ' CH2' ' HA ' ' A' ' 26' ' ' GLN . 67.6 t90 -71.25 -51.67 23.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.833 -175.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 tt -71.43 -34.42 70.27 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -175.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.94 -51.34 59.78 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.683 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.67 -33.22 80.12 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.999 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.447 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 90.8 t90 -58.26 -55.81 30.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.035 0.445 . . . . 0.0 110.647 177.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.7 ttt-85 -72.23 -31.12 65.55 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.082 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -55.52 -57.2 12.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.538 178.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.382 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.161 179.758 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 . . . . . 0 CA--C 1.527 0.078 0 CA-C-O 120.458 0.17 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -54.24 -54.73 35.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.177 0.513 . . . . 0.0 110.619 178.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.464 ' NH2' ' HB2' ' A' ' 32' ' ' GLN . 8.0 ptt-85 -70.29 -23.22 62.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.554 -177.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.1 mt -78.23 -46.46 20.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.932 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -70.0 -23.8 63.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.326 0.584 . . . . 0.0 109.651 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -80.28 -30.41 38.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.493 174.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.95 -26.1 68.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.953 172.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -65.39 -38.74 90.9 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 177.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.3 t -75.52 -37.39 60.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.845 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -59.53 -44.58 93.16 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.863 176.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.445 ' HA2' ' HB3' ' A' ' 19' ' ' ALA . . . -65.55 -34.61 89.57 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.294 178.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.464 ' CD2' ' HB2' ' A' ' 47' ' ' ALA . 36.3 t80 -60.28 -43.75 95.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.124 0.488 . . . . 0.0 109.94 176.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -73.64 -29.14 62.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.404 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.492 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -75.46 -18.22 59.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.689 -177.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.0 -23.67 77.65 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 120.347 -0.93 . . . . 0.0 111.408 174.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.59 -49.91 4.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.648 0.737 . . . . 0.0 109.765 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -99.66 -33.31 10.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.588 -173.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.492 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -75.75 -9.35 84.96 Favored Glycine 0 CA--C 1.506 -0.49 0 C-N-CA 120.433 -0.889 . . . . 0.0 111.049 -175.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 66.05 -69.85 0.11 Allowed 'General case' 0 CA--C 1.536 0.428 0 O-C-N 124.579 0.811 . . . . 0.0 112.681 178.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.475 ' HB3' ' OE1' ' A' ' 27' ' ' GLU . 14.9 m -111.43 -173.35 2.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.258 -171.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.421 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 13.6 mt-30 -97.4 -17.51 19.65 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 122.443 1.116 . . . . 0.0 108.077 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.475 ' OE1' ' HB3' ' A' ' 25' ' ' SER . 19.6 mp0 -64.74 -12.97 52.93 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 113.191 -1.822 . . . . 0.0 111.002 178.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.636 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -86.08 12.48 9.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.516 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.4 t -82.32 103.27 2.17 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.846 0.355 . . . . 0.0 110.563 178.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.636 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 74.8 Cg_endo -78.13 -24.6 8.0 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.789 2.326 . . . . 0.0 113.825 -175.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -96.86 135.07 39.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 119.076 -0.487 . . . . 0.0 111.322 -172.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.792 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 28.3 tt0 46.89 177.49 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.234 0 O-C-N 125.041 1.463 . . . . 0.0 114.945 159.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 7.1 tp-100 -104.87 -78.52 0.57 Allowed 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 121.143 -0.973 . . . . 0.0 112.684 175.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.2 t -74.75 -50.99 23.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.972 0.415 . . . . 0.0 111.548 -167.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -67.08 -35.7 80.39 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.609 0.719 . . . . 0.0 109.08 -175.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.792 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -59.52 -52.91 63.56 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.718 -1.128 . . . . 0.0 111.125 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 33' ' ' GLN . 13.9 mtp85 -61.64 -31.52 71.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.132 -177.141 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.6 m -67.64 -32.49 73.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.204 0.526 . . . . 0.0 110.397 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -96.81 -62.18 1.3 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.809 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.421 ' CH2' ' HA ' ' A' ' 26' ' ' GLN . 79.4 t90 -61.47 -46.25 90.82 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.291 -175.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.45 -19.69 45.51 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -175.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.76 -48.62 75.16 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.34 -33.58 64.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.792 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 54.8 t90 -57.55 -52.51 65.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.189 0.518 . . . . 0.0 110.334 177.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -64.25 -38.05 89.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.517 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -62.86 -57.52 10.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.814 0.34 . . . . 0.0 110.77 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.464 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.796 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -59.11 -46.59 87.92 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 121.653 0.74 . . . . 0.0 109.436 173.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -51.01 -42.78 60.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.155 -1.384 . . . . 0.0 111.258 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.7 mt -81.32 -41.16 22.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.804 -178.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.21 -25.55 64.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.059 0.457 . . . . 0.0 110.446 -178.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -83.35 -28.22 29.14 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 176.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.49 -27.02 68.99 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.171 171.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -69.93 -41.39 74.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.044 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.0 m -71.14 -40.11 71.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.212 175.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.43 -48.31 73.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.637 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.47 ' HA2' ' HB3' ' A' ' 19' ' ' ALA . . . -57.55 -32.6 65.06 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.115 178.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.436 ' CD1' ' HB2' ' A' ' 47' ' ' ALA . 34.7 t80 -59.97 -53.51 56.95 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 176.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -70.34 -20.79 62.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.066 0.46 . . . . 0.0 110.365 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.475 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -80.68 -18.98 46.25 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.178 0.513 . . . . 0.0 110.725 -177.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.0 -24.27 74.26 Favored Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.17 -1.014 . . . . 0.0 110.907 172.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.849 HD21 ' HB1' ' A' ' 47' ' ' ALA . 0.8 OUTLIER -93.87 -53.77 3.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.599 0.714 . . . . 0.0 109.404 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -101.01 -31.9 10.88 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.617 -173.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -71.49 -11.09 71.79 Favored Glycine 0 CA--C 1.505 -0.587 0 C-N-CA 120.043 -1.075 . . . . 0.0 110.853 -176.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 61.58 -72.73 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 114.6 -0.8 . . . . 0.0 112.23 -178.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.7 m -105.56 175.37 5.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.282 0.563 . . . . 0.0 112.014 -173.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.406 HE21 HD21 ' A' ' 41' ' ' LEU . 25.7 mt-30 -81.2 -13.26 58.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.21 177.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.54 -16.61 56.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.735 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.557 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -85.51 25.23 1.07 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.741 -177.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.9 t -108.4 85.99 3.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 0.0 110.546 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.557 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 34.7 Cg_endo -94.35 31.51 0.22 Allowed 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.289 2.66 . . . . 0.0 113.683 -177.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -107.01 -71.67 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.377 -0.529 . . . . 0.0 112.108 -174.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.603 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 32.2 tt0 -149.35 177.56 9.57 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -172.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.503 ' O ' ' HB2' ' A' ' 37' ' ' ARG . 15.9 mm100 -101.26 -76.85 0.56 Allowed 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.143 -0.623 . . . . 0.0 112.464 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.2 t -66.13 -55.15 20.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 CA-C-O 121.438 0.637 . . . . 0.0 111.421 -173.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.79 -35.51 77.11 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.836 -175.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.603 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -68.91 -38.29 79.48 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.637 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.503 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 9.8 ttt180 -57.86 -41.43 82.41 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.2 m -67.94 -44.87 75.79 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.646 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -81.16 -55.3 4.84 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -176.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -69.54 -47.31 64.13 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.458 -172.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.496 ' O ' ' HG3' ' A' ' 45' ' ' ARG . 0.5 OUTLIER -74.32 -25.16 59.39 Favored 'General case' 0 N--CA 1.461 0.09 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.54 -174.587 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.53 -51.41 56.34 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.692 177.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.43 -30.0 69.47 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.882 177.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -59.43 -49.15 78.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.863 0.363 . . . . 0.0 110.64 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 41' ' ' LEU . 16.7 mtm180 -66.17 -45.42 80.96 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.498 179.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -56.59 -56.71 17.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.987 -177.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.849 ' HB1' HD21 ' A' ' 21' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.309 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 . . . . . 0 N--CA 1.455 -0.196 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 27.9 m-20 -55.93 -42.5 76.22 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.413 -179.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -58.66 -26.97 64.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.685 178.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.568 HD11 ' HB3' ' A' ' 35' ' ' ASP . 78.2 mt -94.52 -26.42 16.44 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.213 -177.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -66.05 -35.43 80.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.793 0.806 . . . . 0.0 108.875 173.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 7' ' ' ASP . 16.5 mtm180 -82.64 -33.46 27.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.689 178.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.454 ' HB3' ' HA ' ' A' ' 9' ' ' LEU . . . -63.37 -34.06 76.89 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 120.995 0.426 . . . . 0.0 110.242 173.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -64.22 -47.21 80.58 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.488 0.661 . . . . 0.0 109.705 178.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.3 m -71.24 -42.02 69.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.34 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -63.12 -41.92 99.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.553 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.22 -40.6 97.54 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.284 -0.484 . . . . 0.0 112.026 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.401 ' O ' HD22 ' A' ' 21' ' ' LEU . 80.3 t80 -61.34 -50.85 71.25 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 177.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -63.31 -36.35 83.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.319 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.453 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -67.03 -23.32 65.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.95 0.405 . . . . 0.0 111.014 178.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.33 -42.3 99.23 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.602 -0.808 . . . . 0.0 111.349 174.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.401 HD22 ' O ' ' A' ' 17' ' ' TYR . 1.0 OUTLIER -86.1 -55.96 3.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.488 0.661 . . . . 0.0 110.485 178.744 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.24 -33.61 14.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.493 -170.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.453 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -77.46 -17.05 79.67 Favored Glycine 0 CA--C 1.512 -0.111 0 C-N-CA 120.224 -0.989 . . . . 0.0 112.391 -172.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 66.34 -73.95 0.07 Allowed 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 123.506 0.722 . . . . 0.0 112.087 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.0 m -99.85 169.36 9.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.295 0.569 . . . . 0.0 111.928 -172.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.49 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 12.5 mt-30 -79.91 -6.95 58.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.827 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -63.18 -19.15 64.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.184 175.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.429 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -82.31 26.88 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.705 -176.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 40.7 t -112.51 81.69 4.29 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-O 121.007 0.432 . . . . 0.0 110.799 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 38.5 Cg_endo -92.6 36.8 0.23 Allowed 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 123.336 2.69 . . . . 0.0 113.716 -178.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -112.76 -59.16 2.05 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -173.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.627 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 6.8 tp60 -160.49 177.4 10.58 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -174.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.454 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 15.9 mm100 -98.16 -77.15 0.51 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 118.443 0.565 . . . . 0.0 112.108 178.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.6 t -73.2 -48.85 41.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.022 0.439 . . . . 0.0 110.632 -172.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.568 ' HB3' HD11 ' A' ' 9' ' ' LEU . 2.8 m-20 -58.42 -54.35 47.98 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 122.24 1.019 . . . . 0.0 108.862 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.627 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -56.74 -55.48 33.62 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.363 -176.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.63 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 99.3 mtt180 -61.19 -25.53 67.1 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -174.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.7 m -71.17 -35.68 71.72 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.349 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -94.16 -53.14 4.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.079 0.466 . . . . 0.0 111.921 176.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.49 ' CH2' ' HA ' ' A' ' 26' ' ' GLN . 66.0 t90 -60.33 -47.05 87.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.639 -174.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.63 ' HB2' ' O ' ' A' ' 37' ' ' ARG . 2.2 mt -71.92 -16.19 62.11 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.75 0.31 . . . . 0.0 110.915 -177.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.19 -52.26 33.16 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 175.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.99 -36.03 92.59 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.392 176.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -58.12 -49.6 76.41 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.08 0.466 . . . . 0.0 110.26 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.4 mtm180 -65.95 -38.02 87.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.592 177.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -62.3 -48.18 81.02 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.648 -177.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.069 178.595 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 120.551 0.215 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -60.46 -57.43 12.78 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 121.554 0.692 . . . . 0.0 110.699 175.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.89 -17.75 61.0 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.709 -173.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.59 HD11 ' HB3' ' A' ' 35' ' ' ASP . 86.6 mt -86.13 -34.64 20.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.036 176.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -63.38 -38.22 90.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.864 0.84 . . . . 0.0 108.752 174.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 11' ' ' ARG . 47.3 mtm180 -76.3 -34.78 59.06 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.682 -1.145 . . . . 0.0 109.378 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.42 -30.85 71.88 Favored 'General case' 0 CA--C 1.518 -0.275 0 O-C-N 123.743 0.652 . . . . 0.0 110.695 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -66.24 -50.88 62.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.216 0.532 . . . . 0.0 109.797 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.2 t -69.76 -34.0 73.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.016 177.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.504 ' HG2' ' HE2' ' A' ' 31' ' ' TYR . 6.3 tp-100 -67.12 -39.66 86.69 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.702 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.78 -42.17 97.91 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.716 177.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -61.6 -48.56 80.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.321 0.582 . . . . 0.0 109.511 177.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -64.16 -36.48 84.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.879 178.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.517 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -67.37 -18.85 65.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.94 -30.57 76.25 Favored Glycine 0 N--CA 1.442 -0.951 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.605 172.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -96.49 -51.48 4.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.408 0.623 . . . . 0.0 110.091 178.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -96.45 -34.03 11.66 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.164 -0.926 . . . . 0.0 113.033 -171.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.517 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -83.66 -18.66 63.35 Favored Glycine 0 CA--C 1.506 -0.469 0 C-N-CA 120.009 -1.091 . . . . 0.0 111.532 -171.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 61.14 -79.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.427 -0.887 . . . . 0.0 112.45 -176.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.0 m -89.91 166.59 13.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.262 0.553 . . . . 0.0 111.404 -172.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.509 ' HB3' HD21 ' A' ' 41' ' ' LEU . 9.1 mt-30 -82.67 -12.67 57.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.445 177.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -73.08 -6.71 47.41 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.913 -1.04 . . . . 0.0 110.198 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.671 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -89.73 24.92 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.76 178.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.8 t -101.09 92.98 2.75 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.312 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.671 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 40.3 Cg_endo -94.82 -9.1 1.5 Allowed 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.419 2.746 . . . . 0.0 115.329 -175.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.504 ' HE2' ' HG2' ' A' ' 15' ' ' GLN . 89.9 m-85 -64.34 -51.98 60.71 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -172.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.657 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 6.7 tp60 -166.1 176.47 7.66 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -173.009 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.497 ' O ' ' HD2' ' A' ' 37' ' ' ARG . 8.6 pt20 -98.05 -75.75 0.54 Allowed 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 119.273 -0.971 . . . . 0.0 112.08 171.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.489 ' H ' ' HG3' ' A' ' 33' ' ' GLN . 60.7 t -69.14 -50.38 53.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 O-C-N 121.705 -0.622 . . . . 0.0 110.776 -170.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.59 ' HB3' HD11 ' A' ' 9' ' ' LEU . 39.8 m-20 -60.93 -49.08 78.89 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.879 0.847 . . . . 0.0 109.101 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.657 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -61.21 -55.25 34.27 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.862 -175.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.623 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 2.2 mpt_? -64.96 -22.19 66.96 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 119.984 -0.687 . . . . 0.0 111.387 -173.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 m -68.2 -38.51 82.05 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 176.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -91.85 -52.14 4.88 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.207 0.527 . . . . 0.0 112.361 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.429 ' CH2' ' HA ' ' A' ' 26' ' ' GLN . 66.7 t90 -61.6 -49.78 75.25 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.403 -174.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.623 ' HB2' ' O ' ' A' ' 37' ' ' ARG . 11.8 mt -72.22 -24.42 61.39 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.995 -177.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.37 -45.16 91.81 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.62 176.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.47 -27.37 65.7 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.912 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -63.85 -52.85 58.18 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.033 0.444 . . . . 0.0 110.234 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -66.33 -35.65 80.9 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.466 178.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -56.2 -50.76 70.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.182 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.431 178.886 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 6' ' ' ARG . 18.9 ttp85 . . . . . 0 N--CA 1.456 -0.167 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -59.2 -52.76 64.31 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.356 0.598 . . . . 0.0 110.397 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.8 ptm85 -63.52 -27.21 69.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.717 -175.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.491 ' CD1' ' HB3' ' A' ' 35' ' ' ASP . 37.5 mt -92.1 -33.58 14.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.731 -177.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -69.11 -26.41 64.9 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 172.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -73.16 -42.54 62.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.583 -1.19 . . . . 0.0 108.47 174.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.569 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -61.57 -31.05 71.07 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.633 174.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -64.97 -50.45 66.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.038 0.447 . . . . 0.0 109.916 177.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.9 t -67.45 -39.02 85.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.358 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -46.09 85.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.46 178.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.05 -38.78 94.8 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.449 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -62.66 -41.19 98.92 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -69.48 -28.29 65.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.1 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.22 -23.67 54.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.763 -177.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.37 -24.61 76.01 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.463 -0.875 . . . . 0.0 111.547 174.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.77 -55.12 2.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.602 0.715 . . . . 0.0 109.509 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.06 -33.45 14.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.235 -173.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.82 -19.92 78.48 Favored Glycine 0 CA--C 1.509 -0.304 0 C-N-CA 120.286 -0.959 . . . . 0.0 112.027 -171.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 67.99 -59.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 123.633 0.773 . . . . 0.0 112.273 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.2 m -116.48 173.75 6.44 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.379 -172.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -88.57 -10.09 49.98 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.613 0.72 . . . . 0.0 109.41 178.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -66.53 -9.53 35.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.948 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.658 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -99.14 30.5 3.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.468 -177.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 41.0 t -101.95 93.97 4.15 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.686 0.279 . . . . 0.0 110.893 178.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.658 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 42.3 Cg_endo -96.49 22.96 0.35 Allowed 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 123.365 2.71 . . . . 0.0 113.333 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -97.45 -73.5 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.527 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 1.7 tt0 -148.55 -175.66 5.01 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -172.052 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.569 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 95.8 mt-30 -101.11 -78.25 0.53 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.028 0.442 . . . . 0.0 111.867 178.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.9 t -75.56 -48.56 29.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.401 0.619 . . . . 0.0 110.451 -175.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.491 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 7.9 m-20 -62.98 -37.16 86.0 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.767 -178.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.527 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -71.03 -30.76 67.05 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.215 -178.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.597 ' HA ' ' HB2' ' A' ' 41' ' ' LEU . 99.2 mtt180 -60.62 -48.89 79.79 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.489 174.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.5 t -61.84 -40.08 94.05 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.534 -174.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.431 ' CD1' ' HB3' ' A' ' 9' ' ' LEU . 84.9 m-85 -93.81 -67.33 0.86 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.65 -178.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.569 ' HB2' ' HB1' ' A' ' 12' ' ' ALA . 68.1 t90 -61.96 -47.09 86.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.463 -173.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.597 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 0.9 OUTLIER -77.33 -28.28 53.06 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -174.122 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.2 -46.39 91.06 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.559 174.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.01 -38.41 92.71 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.646 175.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -58.67 -53.71 55.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.321 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -62.02 -44.43 96.73 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.319 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -55.53 -52.97 61.91 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.304 0.378 . . . . 0.0 110.325 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.107 179.671 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 46.2 ttm-85 . . . . . 0 N--CA 1.451 -0.418 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.17 -59.87 4.17 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.815 0.34 . . . . 0.0 111.003 178.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -64.87 -32.41 74.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.627 -177.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.401 HD11 ' HB3' ' A' ' 35' ' ' ASP . 41.3 mt -78.14 -34.82 49.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.639 0.257 . . . . 0.0 111.454 -178.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -69.19 -30.29 68.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.054 0.454 . . . . 0.0 110.031 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -80.61 -30.14 36.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.433 ' O ' ' HA ' ' A' ' 40' ' ' TRP . . . -61.0 -32.37 71.95 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.64 171.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -64.67 -48.28 75.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.853 178.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.3 m -64.58 -40.01 94.77 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.53 177.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.427 ' HG2' ' HE2' ' A' ' 31' ' ' TYR . 5.9 tp-100 -59.92 -45.5 92.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.177 177.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.506 ' HA3' ' O ' ' A' ' 40' ' ' TRP . . . -61.09 -33.14 83.0 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.104 178.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -63.1 -46.46 87.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 177.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -70.99 -21.3 62.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.311 0.577 . . . . 0.0 109.942 176.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.59 -20.54 53.82 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.877 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.93 -12.38 81.28 Favored Glycine 0 N--CA 1.442 -0.916 0 C-N-CA 120.342 -0.932 . . . . 0.0 111.404 173.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mt -100.22 -54.33 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.723 0.773 . . . . 0.0 109.169 177.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -100.52 -34.91 9.72 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.437 -1.256 . . . . 0.0 112.293 -174.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.58 -19.53 73.46 Favored Glycine 0 CA--C 1.509 -0.311 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.16 -169.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 24' ' ' ARG . 19.5 ttm-85 67.31 -67.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 123.645 0.778 . . . . 0.0 112.671 179.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.7 m -110.22 173.99 6.07 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -169.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -78.47 -14.37 59.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.692 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -57.27 -21.64 35.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.833 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.624 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -89.35 26.94 1.54 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.151 -173.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 47.2 t -107.51 88.52 4.21 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 111.201 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.624 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 31.2 Cg_endo -99.14 32.75 0.11 Allowed 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 123.519 2.812 . . . . 0.0 114.284 -178.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.427 ' HE2' ' HG2' ' A' ' 15' ' ' GLN . 33.0 m-85 -109.05 -36.73 6.0 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -174.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.709 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -179.62 177.24 0.73 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 -174.785 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.439 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 30.4 mm-40 -101.02 -77.04 0.55 Allowed 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 118.732 0.696 . . . . 0.0 112.328 176.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.6 t -66.13 -54.95 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.141 0.495 . . . . 0.0 111.424 -172.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.401 ' HB3' HD11 ' A' ' 9' ' ' LEU . 12.5 m-20 -68.77 -39.64 80.14 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.838 -174.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.709 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -63.45 -46.98 83.77 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 114.944 -1.026 . . . . 0.0 110.617 179.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -60.17 -36.93 78.7 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.006 -176.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.0 p -70.64 -31.39 68.31 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.248 -177.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -96.08 -55.75 2.87 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.386 -0.526 . . . . 0.0 112.176 178.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.506 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 85.6 t90 -59.84 -50.76 72.52 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 123.135 0.574 . . . . 0.0 110.953 -176.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.536 HD23 ' HG3' ' A' ' 45' ' ' ARG . 1.4 tt -76.13 -15.44 60.08 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -176.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.51 -44.31 97.77 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 173.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.23 -31.29 57.54 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.788 175.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -58.57 -52.24 66.48 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.025 0.441 . . . . 0.0 110.305 177.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.536 ' HG3' HD23 ' A' ' 41' ' ' LEU . 37.2 mtp-105 -61.55 -44.12 97.62 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.386 175.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -53.39 -48.21 68.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.952 -176.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.559 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 178.654 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 . . . . . 0 C--O 1.226 -0.153 0 N-CA-C 110.683 -0.117 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.499 ' O ' ' HD3' ' A' ' 11' ' ' ARG . 10.8 t70 -44.72 -58.88 2.79 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.658 0.599 . . . . 0.0 111.672 -175.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.7 ptp85 -63.2 -30.59 71.71 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.68 -174.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.498 HD11 ' HB3' ' A' ' 35' ' ' ASP . 96.6 mt -84.38 -31.37 24.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.815 0.34 . . . . 0.0 110.725 -178.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -62.51 -32.65 73.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 122.019 0.914 . . . . 0.0 109.408 173.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.499 ' HD3' ' O ' ' A' ' 7' ' ' ASP . 10.0 mpt_? -85.06 -42.14 15.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.794 -1.093 . . . . 0.0 109.447 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -56.64 -36.61 69.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.999 176.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -68.73 -42.64 77.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.199 0.523 . . . . 0.0 110.301 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.1 m -71.77 -38.79 70.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.424 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.0 -48.74 67.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.314 177.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.88 -38.1 87.34 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.651 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -60.27 -51.99 67.17 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 177.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.56 -33.23 75.15 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.58 -17.63 64.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 177.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.401 ' HA3' ' HB3' ' A' ' 47' ' ' ALA . . . -71.58 -41.45 57.39 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.354 174.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -84.34 -47.02 11.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.091 0.472 . . . . 0.0 110.484 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -97.35 -38.08 9.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.693 -173.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.48 -21.17 70.18 Favored Glycine 0 C--O 1.233 0.089 0 C-N-CA 120.393 -0.908 . . . . 0.0 111.847 -173.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 69.24 -61.1 0.44 Allowed 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 123.993 0.917 . . . . 0.0 112.459 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.4 m -106.42 169.3 8.6 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.182 0.515 . . . . 0.0 112.296 -171.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.403 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 5.6 mt-30 -81.38 -10.28 59.57 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.663 176.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -63.97 -14.39 53.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.802 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.642 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -88.99 21.64 3.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.118 -175.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.3 t -100.9 96.62 5.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 111.091 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.642 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 28.0 Cg_endo -96.52 18.41 0.59 Allowed 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 123.287 2.658 . . . . 0.0 113.794 179.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -96.76 -83.57 0.38 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -173.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.792 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 63.4 tt0 -138.34 177.85 7.57 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -171.155 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.528 ' O ' ' HB2' ' A' ' 37' ' ' ARG . 36.7 tt0 -99.7 -75.7 0.56 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -175.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.6 t -75.35 -52.87 17.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.314 0.578 . . . . 0.0 111.164 -172.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.498 ' HB3' HD11 ' A' ' 9' ' ' LEU . 29.5 m-20 -67.63 -41.92 83.14 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.308 -174.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.792 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -64.08 -31.19 72.29 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.821 177.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.528 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 49.8 ttt180 -61.15 -47.29 86.88 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.6 m -69.48 -32.26 71.04 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.447 -177.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.472 ' CG ' ' HB3' ' A' ' 9' ' ' LEU . 47.7 m-85 -92.21 -56.1 3.18 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -177.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.435 ' HB2' ' HB1' ' A' ' 12' ' ' ALA . 65.4 t90 -65.62 -52.53 51.18 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.65 -177.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 tt -72.62 -26.9 61.85 Favored 'General case' 0 C--N 1.334 -0.067 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -176.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.27 -46.4 94.35 Favored Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 174.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.75 -35.97 61.94 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.991 -0.623 . . . . 0.0 111.817 176.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -59.02 -50.06 75.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.979 0.419 . . . . 0.0 110.248 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -24.74 62.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.094 -178.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.49 -50.76 66.15 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 174.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.401 ' HB3' ' HA3' ' A' ' 20' ' ' GLY . . . . . . . . 0 C--O 1.237 0.434 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.491 176.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 54.1 ttm-85 . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.721 0.296 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.61 -49.35 75.21 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.847 0.832 . . . . 0.0 110.029 176.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -60.99 -35.73 77.6 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.087 -1.415 . . . . 0.0 111.089 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.422 ' CD1' ' HB3' ' A' ' 35' ' ' ASP . 43.2 mt -88.51 -30.97 18.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.095 -175.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -69.77 -26.72 64.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.613 0.72 . . . . 0.0 109.319 176.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.5 ttm105 -79.46 -36.06 39.4 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 174.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.41 ' HA ' ' HB3' ' A' ' 15' ' ' GLN . . . -61.8 -29.56 70.23 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.358 173.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -68.84 -45.97 69.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.429 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.2 t -68.96 -36.96 78.52 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 176.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.41 ' HB3' ' HA ' ' A' ' 12' ' ' ALA . 7.0 tp60 -60.32 -43.54 96.28 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.764 175.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 40' ' ' TRP . . . -65.32 -36.87 93.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.345 -0.455 . . . . 0.0 112.347 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -57.63 -51.48 69.35 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.433 ' HA ' HD23 ' A' ' 21' ' ' LEU . 18.5 tptm -70.8 -25.99 63.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.273 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.457 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -67.78 -18.59 64.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.162 0.506 . . . . 0.0 110.37 177.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.37 -33.77 83.07 Favored Glycine 0 N--CA 1.438 -1.201 0 C-N-CA 120.438 -0.887 . . . . 0.0 111.501 172.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 18' ' ' LYS . 1.1 mm? -91.3 -45.33 8.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.321 0.581 . . . . 0.0 110.031 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.04 -40.13 8.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.798 -171.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.457 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -82.43 -12.48 80.37 Favored Glycine 0 C--O 1.23 -0.125 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.629 -169.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.2 ttm-85 68.58 -76.32 0.06 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.196 0.599 . . . . 0.0 112.143 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.2 m -113.08 176.24 5.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.023 0.439 . . . . 0.0 111.9 -171.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.498 ' HG2' HD21 ' A' ' 41' ' ' LEU . 13.9 mt-30 -76.36 -20.85 56.8 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.042 177.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -60.0 -22.62 62.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.918 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.533 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -84.54 28.4 0.66 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.671 -176.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 53.7 t -107.55 93.19 9.62 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.768 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.533 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 63.4 Cg_endo -92.34 57.9 0.69 Allowed 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 123.205 2.604 . . . . 0.0 112.554 178.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -132.01 -71.62 0.54 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.507 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 6.4 tp-100 -156.13 179.21 9.44 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -174.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.408 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 99.6 mt-30 -100.08 -77.15 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 176.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 46.2 t -68.65 -50.13 58.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.221 0.534 . . . . 0.0 111.128 -173.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.422 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 5.7 m-20 -64.01 -40.87 97.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.638 0.733 . . . . 0.0 109.73 -177.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.507 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -70.4 -34.35 72.44 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.954 -179.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.685 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 17.9 ttt180 -56.5 -49.52 74.47 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 176.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.9 m -67.12 -39.07 86.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.059 -173.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -93.71 -57.88 2.43 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -176.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.443 ' CZ3' ' HA ' ' A' ' 26' ' ' GLN . 83.8 t90 -63.74 -43.63 95.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.712 -175.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.685 ' HB2' ' O ' ' A' ' 37' ' ' ARG . 17.2 mt -78.68 -17.88 55.26 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.909 -178.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.62 -46.29 94.03 Favored Glycine 0 N--CA 1.44 -1.084 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.571 176.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.99 -34.61 55.4 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.828 176.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -62.08 -49.57 75.41 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.928 0.394 . . . . 0.0 110.694 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -71.48 -29.21 64.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.166 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.27 -47.99 74.78 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.064 -0.346 . . . . 0.0 110.064 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.375 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.284 176.965 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? . . . . . 0 C--O 1.226 -0.151 0 CA-C-O 120.716 0.293 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -54.28 -73.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.288 -174.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 8' ' ' ARG . 20.3 ptt-85 -69.7 -19.64 63.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.06 0.457 . . . . 0.0 111.056 -174.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 35' ' ' ASP . 42.0 mt -77.91 -41.33 36.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.456 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.486 ' O ' ' HB3' ' A' ' 13' ' ' GLN . 42.6 tt0 -67.51 -28.48 67.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.489 0.661 . . . . 0.0 110.151 178.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -76.48 -33.05 58.68 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.451 176.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.88 -28.07 68.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.271 171.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.486 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 32.3 tt0 -64.03 -49.73 71.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.682 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.2 m -69.0 -33.86 74.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.397 176.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -63.73 -43.37 96.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.459 177.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 40' ' ' TRP . . . -59.77 -41.01 97.38 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.829 -179.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -58.85 -52.62 64.95 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -59.62 -39.03 82.93 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.62 177.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.12 -19.82 65.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.521 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.97 -33.08 65.7 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.401 -0.904 . . . . 0.0 112.139 174.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -92.33 -38.97 11.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.552 0.692 . . . . 0.0 110.287 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -94.62 -43.51 8.26 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.878 -171.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.14 -17.05 58.3 Favored Glycine 0 CA--C 1.506 -0.501 0 C-N-CA 120.114 -1.041 . . . . 0.0 111.073 -175.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.2 ttp-105 68.1 -57.8 0.47 Allowed 'General case' 0 CA--C 1.537 0.444 0 O-C-N 124.568 0.805 . . . . 0.0 112.402 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.3 m -102.28 175.82 5.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.105 0.479 . . . . 0.0 111.863 -175.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -86.19 -8.42 57.82 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.664 0.745 . . . . 0.0 109.396 176.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -69.58 -6.54 31.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.578 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.653 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -88.29 14.36 9.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.549 -178.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 41.4 t -97.52 100.3 7.91 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.661 0.267 . . . . 0.0 111.156 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.653 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 29.6 Cg_endo -95.07 14.91 1.18 Allowed 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 123.417 2.745 . . . . 0.0 113.529 176.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -92.1 -90.44 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -172.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.545 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 48.3 tt0 -139.21 -177.68 5.02 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -173.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -100.95 -77.52 0.54 Allowed 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 88.3 t -65.06 -54.73 25.95 Favored 'Isoleucine or valine' 0 C--O 1.241 0.65 0 CA-C-O 121.373 0.606 . . . . 0.0 111.196 -172.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.459 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 6.2 m-20 -66.07 -43.75 86.47 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.677 -176.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.545 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -64.27 -40.44 95.99 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.391 -178.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.43 ' HA ' ' HB2' ' A' ' 41' ' ' LEU . 42.7 mtm105 -57.61 -41.52 81.42 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.446 176.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.2 m -65.62 -32.47 74.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.828 -175.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -99.97 -59.73 1.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.109 0.48 . . . . 0.0 112.036 -178.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.415 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 80.1 t90 -66.03 -47.7 73.53 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.205 -175.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.43 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -76.49 -25.46 54.28 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -175.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.81 -44.4 98.06 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 174.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.38 -39.3 61.83 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.849 177.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 78.7 t90 -57.51 -52.27 66.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.296 0.569 . . . . 0.0 110.38 178.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -31.59 71.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.524 -177.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -68.03 -43.61 78.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.394 -177.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.567 0 CA-C-O 121.51 0.671 . . . . 0.0 110.06 175.235 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 6' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.886 0.375 . . . . 0.0 110.089 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.567 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 1.4 m-20 -57.87 -56.16 25.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.634 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -63.58 -28.1 69.7 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.44 -178.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.531 HD11 ' HB3' ' A' ' 35' ' ' ASP . 98.0 mt -77.27 -37.28 53.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.493 -178.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -69.82 -28.58 65.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.521 0.676 . . . . 0.0 109.543 177.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' A' ' 7' ' ' ASP . 96.5 mtt180 -72.84 -41.51 64.75 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 174.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.574 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -62.77 -29.26 70.57 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.095 174.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -68.79 -42.59 77.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.285 0.564 . . . . 0.0 109.581 178.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.5 t -71.21 -44.42 65.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.97 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -61.73 -44.19 97.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.68 178.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.89 -37.02 83.03 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.019 178.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.402 ' CD1' ' HB2' ' A' ' 47' ' ' ALA . 73.7 t80 -58.53 -52.74 64.36 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 176.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.576 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 83.1 tttt -65.74 -31.31 72.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.929 0.395 . . . . 0.0 110.485 177.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.401 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -66.26 -22.39 66.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.296 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.1 -31.32 77.4 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.204 176.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -99.82 -49.23 4.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.118 0.485 . . . . 0.0 110.923 178.374 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -101.0 -25.56 14.02 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.656 -170.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.401 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -81.63 -15.54 75.55 Favored Glycine 0 CA--C 1.505 -0.591 0 C-N-CA 120.055 -1.069 . . . . 0.0 110.776 -178.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.3 mtp85 59.07 -70.64 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.7 m -106.45 163.48 12.83 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.21 0.528 . . . . 0.0 112.144 -171.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.417 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 39.1 mt-30 -74.95 -8.68 57.19 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.064 176.019 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -60.16 -23.6 64.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.394 176.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.643 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -87.22 31.24 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.048 -173.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.5 t -104.51 90.87 3.59 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-O 120.846 0.355 . . . . 0.0 110.786 178.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.643 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 40.4 Cg_endo -96.45 -8.36 1.06 Allowed 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.065 2.51 . . . . 0.0 115.113 -177.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -76.3 -45.22 33.45 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 -169.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.707 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 38.0 tp60 -160.31 176.98 11.09 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -177.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.43 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 26.0 tp60 -101.22 -75.25 0.59 Allowed 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.116 -0.634 . . . . 0.0 112.039 176.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.6 t -74.74 -50.53 25.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 CA-C-O 121.429 0.633 . . . . 0.0 110.618 -174.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.618 ' HB2' ' HG2' ' A' ' 32' ' ' GLN . 7.0 m-20 -63.07 -37.29 86.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.139 -177.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.707 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -72.01 -28.8 63.62 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.886 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 37' ' ' ARG . 22.5 ttt180 -59.24 -51.35 70.35 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.308 -0.557 . . . . 0.0 109.857 178.124 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.3 m -69.16 -32.99 72.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.047 -176.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.434 ' CG ' ' HB3' ' A' ' 9' ' ' LEU . 43.6 m-85 -87.65 -63.67 1.27 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -178.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.574 ' HB2' ' HB1' ' A' ' 12' ' ' ALA . 80.0 t90 -64.49 -47.48 78.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.238 -174.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 tt -72.95 -25.14 60.92 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -176.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.98 -40.15 95.16 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.462 174.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.91 -33.75 59.61 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.486 174.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 82.3 t90 -59.98 -53.97 51.6 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 177.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -64.61 -28.29 69.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.162 178.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -58.13 -61.61 2.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.182 0.515 . . . . 0.0 109.837 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.402 ' HB2' ' CD1' ' A' ' 17' ' ' TYR . . . . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.993 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 pmm? . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 121.182 0.515 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -152.76 -41.27 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.244 0.545 . . . . 0.0 110.105 -175.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -90.95 47.33 1.4 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.878 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.5 ' HA ' ' OD2' ' A' ' 7' ' ' ASP . 49.9 mt-30 -85.13 8.34 18.49 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -173.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -70.88 -47.87 56.89 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.947 0.403 . . . . 0.0 110.081 175.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.7 ttp-105 -75.4 -36.84 60.77 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.92 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.5 ' OD2' ' HA ' ' A' ' 4' ' ' GLN . 44.0 m-20 -48.18 -62.22 1.59 Allowed 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -172.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -68.33 -19.76 64.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.738 0.304 . . . . 0.0 111.259 -172.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.401 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 96.1 mt -89.76 -34.75 16.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.987 0.422 . . . . 0.0 110.581 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.42 -34.86 73.01 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.119 177.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.4 mtm-85 -91.92 -26.58 18.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.441 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 9' ' ' LEU . . . -63.28 -30.93 71.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.848 171.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -60.02 -42.74 95.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.281 178.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.3 m -79.2 -39.21 33.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.558 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.643 ' HG2' ' HE2' ' A' ' 31' ' ' TYR . 5.8 tp-100 -60.68 -43.36 97.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.72 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.99 -40.36 98.36 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.142 -0.551 . . . . 0.0 112.159 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -60.44 -49.75 76.34 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 177.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -63.01 -36.34 83.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.449 178.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.15 -21.92 66.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.969 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.78 -43.23 92.19 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.523 -0.846 . . . . 0.0 111.903 174.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -85.58 -48.38 8.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.227 0.537 . . . . 0.0 110.787 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -98.22 -37.48 9.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.572 -172.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -82.39 -10.72 83.15 Favored Glycine 0 CA--C 1.51 -0.243 0 C-N-CA 120.285 -0.96 . . . . 0.0 112.451 -169.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.7 ttm180 64.93 -64.52 0.16 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.791 0.836 . . . . 0.0 112.656 -177.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.6 m -120.01 176.65 5.32 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -166.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.548 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 9.6 mt-30 -85.56 -5.92 59.23 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 114.547 -1.206 . . . . 0.0 109.939 178.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -62.96 -21.13 65.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.212 -0.903 . . . . 0.0 110.048 177.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.696 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -101.09 40.28 1.3 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.542 -175.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.1 p -106.67 81.95 0.96 Allowed Pre-proline 0 CA--C 1.543 0.71 0 CA-C-O 121.093 0.473 . . . . 0.0 110.749 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.696 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 48.0 Cg_endo -97.41 41.97 0.1 Allowed 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 123.24 2.627 . . . . 0.0 114.107 -170.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.643 ' HE2' ' HG2' ' A' ' 15' ' ' GLN . 96.9 m-85 -119.36 -105.9 0.38 Allowed 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.73 178.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.57 ' HG2' ' HB2' ' A' ' 35' ' ' ASP . 41.0 tp60 -93.52 177.96 5.86 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 176.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.414 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 76.8 mt-30 -101.62 -75.36 0.59 Allowed 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.93 -0.481 . . . . 0.0 111.176 174.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.512 ' O ' ' HB3' ' A' ' 37' ' ' ARG . 58.5 t -70.51 -46.98 67.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-O 121.5 0.667 . . . . 0.0 111.645 -174.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.57 ' HB2' ' HG2' ' A' ' 32' ' ' GLN . 8.3 m-20 -69.92 -25.99 63.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.934 -178.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 40' ' ' TRP . . . -78.66 -25.03 44.86 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.046 177.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.512 ' HB3' ' O ' ' A' ' 34' ' ' VAL . 22.8 ttt85 -59.09 -53.84 53.79 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 171.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.2 p -70.55 -24.34 62.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.615 -175.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -96.95 -69.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.027 0.442 . . . . 0.0 112.032 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.548 ' CH2' ' HA ' ' A' ' 26' ' ' GLN . 68.4 t90 -61.21 -45.01 96.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.336 -175.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.441 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 0.5 OUTLIER -76.07 -21.78 56.35 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-O 121.197 0.523 . . . . 0.0 110.035 -175.164 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.29 -47.81 61.82 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.27 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.89 -34.21 71.25 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.922 -0.656 . . . . 0.0 111.656 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.561 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 84.5 t90 -58.06 -53.82 53.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.882 0.372 . . . . 0.0 110.52 178.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 49.2 mtm105 -63.36 -36.62 84.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.094 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -66.31 -50.45 63.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.807 -177.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.39 -48.45 76.88 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.27 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.561 ' HG3' ' O ' ' A' ' 44' ' ' TRP . 28.5 mtp180 -61.25 -51.95 66.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.607 -178.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.511 ' HA ' ' HB3' ' A' ' 52' ' ' GLN . 12.9 t70 -69.95 -15.2 63.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.911 0.386 . . . . 0.0 111.538 -174.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -80.44 -40.43 26.34 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -83.16 -16.43 46.72 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.511 ' HB3' ' HA ' ' A' ' 49' ' ' ASP . 6.4 tp60 -78.58 -36.01 45.02 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 113.988 -1.46 . . . . 0.0 110.139 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 88.8 p -68.74 -25.2 64.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.597 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -67.32 -26.2 73.53 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.973 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.57 49.35 1.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.887 0.375 . . . . 0.0 110.583 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -77.49 68.68 3.64 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.617 0.722 . . . . 0.0 109.793 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -86.64 -54.12 4.57 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.312 -0.858 . . . . 0.0 108.863 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 24.5 mt -95.78 156.63 16.25 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.919 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.22 -19.16 32.09 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.249 0.547 . . . . 0.0 109.788 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.61 -175.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.668 0.27 . . . . 0.0 111.554 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -112.42 -5.01 14.12 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -171.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.446 ' HD3' ' HA ' ' A' ' 3' ' ' ARG . 6.4 mmt180 -119.0 -14.39 9.37 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 178.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 52.38 34.88 15.95 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.82 0.343 . . . . 0.0 111.345 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.9 pttt -61.23 -43.34 99.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.751 -175.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 10' ' ' GLU . 33.0 ttt180 -66.99 -36.83 83.04 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.017 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -58.13 -52.18 66.62 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 122.183 0.992 . . . . 0.0 110.077 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -64.36 -39.49 93.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.143 -1.389 . . . . 0.0 110.941 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.501 ' CD2' ' HA ' ' A' ' 36' ' ' ALA . 79.5 mt -78.98 -22.74 45.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.365 -178.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 6' ' ' ARG . 5.1 tp10 -60.18 -38.91 84.7 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 172.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -75.76 -41.23 53.76 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 114.502 -1.226 . . . . 0.0 109.485 177.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' A' ' 9' ' ' LEU . . . -55.82 -33.98 64.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.873 175.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -73.37 -45.76 53.06 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.819 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -70.41 -37.7 74.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.863 0.363 . . . . 0.0 110.339 178.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -73.0 -29.26 62.89 Favored 'General case' 0 C--O 1.223 -0.337 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.38 -45.83 95.45 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.423 ' CD2' ' HB2' ' A' ' 47' ' ' ALA . 45.5 t80 -56.6 -50.45 71.94 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 175.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -61.95 -35.23 77.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.869 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.54 -20.27 66.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.15 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.35 -32.63 84.83 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.062 -1.066 . . . . 0.0 111.549 171.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -91.85 -39.01 11.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.554 0.693 . . . . 0.0 109.845 178.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.0 -46.64 11.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.932 -1.031 . . . . 0.0 112.504 -173.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.09 -29.62 6.72 Favored Glycine 0 CA--C 1.51 -0.256 0 C-N-CA 120.445 -0.883 . . . . 0.0 112.666 -170.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 73.4 -43.26 0.55 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.753 0.821 . . . . 0.0 112.64 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 62.5 m -104.91 164.48 11.76 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.981 0.42 . . . . 0.0 111.924 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -77.43 -17.01 58.5 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.108 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -68.51 -3.37 11.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.046 -0.979 . . . . 0.0 110.82 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.596 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -88.01 20.3 3.2 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.545 177.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 48.5 t -102.12 92.16 2.94 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.139 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.596 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 83.2 Cg_endo -85.81 -14.26 5.39 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.071 2.514 . . . . 0.0 114.668 -175.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.417 ' HE2' ' CD1' ' A' ' 40' ' ' TRP . 2.5 m-85 -70.18 -71.32 0.25 Allowed 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.826 0.822 . . . . 0.0 111.507 -172.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.576 ' HG2' ' H ' ' A' ' 33' ' ' GLN . 43.9 tt0 -149.41 179.62 7.81 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 -176.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.576 ' H ' ' HG2' ' A' ' 32' ' ' GLN . 80.3 mt-30 -98.17 -75.79 0.54 Allowed 'General case' 0 N--CA 1.442 -0.871 0 C-N-CA 120.084 -0.646 . . . . 0.0 112.072 173.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 76.9 t -59.79 -58.68 6.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -169.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -70.18 -44.0 69.66 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.734 0.778 . . . . 0.0 109.362 -174.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.501 ' HA ' ' CD2' ' A' ' 9' ' ' LEU . . . -53.58 -53.21 55.04 Favored 'General case' 0 C--O 1.213 -0.848 0 CA-C-N 114.58 -1.191 . . . . 0.0 110.858 177.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -66.06 -22.24 66.41 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -177.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.5 m -67.87 -32.72 73.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.119 0.485 . . . . 0.0 109.799 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -95.91 -50.29 4.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.345 0.593 . . . . 0.0 111.911 174.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.417 ' CD1' ' HE2' ' A' ' 31' ' ' TYR . 72.7 t90 -69.14 -53.15 21.65 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.536 -171.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.463 ' O ' HD23 ' A' ' 41' ' ' LEU . 2.6 tt -67.08 -33.27 75.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.734 0.302 . . . . 0.0 110.686 -171.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.11 -47.54 90.3 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.772 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.01 -34.17 65.09 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.69 -0.766 . . . . 0.0 111.645 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -58.25 -53.9 53.04 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.673 0.273 . . . . 0.0 111.169 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 50.2 ttp85 -66.99 -36.9 83.2 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -176.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 50' ' ' GLU . 36.7 t70 -59.05 -47.73 84.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.684 -179.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.423 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . . . -62.79 -52.51 62.88 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.078 178.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.595 ' O ' ' HB2' ' A' ' 52' ' ' GLN . 79.8 ttt180 -57.97 -47.24 83.54 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.495 -177.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.538 ' HA ' ' HB3' ' A' ' 52' ' ' GLN . 15.9 t70 -73.85 -16.89 61.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.818 0.342 . . . . 0.0 111.351 -177.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 46' ' ' ASP . 24.9 tt0 -75.35 -38.52 60.07 Favored 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 -175.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -90.09 -18.65 25.49 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 178.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.595 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 42.9 tp60 -71.59 -54.15 11.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.471 -1.241 . . . . 0.0 109.593 178.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.8 m -79.19 -8.13 58.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.671 178.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -67.76 -24.39 74.15 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 121.057 -0.592 . . . . 0.0 111.763 177.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 91.7 mt 62.13 67.86 0.71 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.198 0.523 . . . . 0.0 111.915 175.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -86.4 15.08 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.855 174.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.3 mttm 77.75 86.07 0.07 Allowed 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 114.712 -1.131 . . . . 0.0 110.824 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.16 -41.77 81.05 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.201 -1.363 . . . . 0.0 110.05 176.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -70.77 133.65 46.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.531 175.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 29.6 m170 . . . . . 0 C--N 1.322 -0.606 0 CA-C-O 121.532 0.682 . . . . 0.0 112.299 -174.114 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -78.29 88.76 4.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.305 0.574 . . . . 0.0 111.623 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 53.2 ttt180 -157.91 39.19 0.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 171.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -76.27 -174.4 2.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.385 -174.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.9 mptm? -66.54 -68.07 0.4 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.695 170.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -54.82 -34.44 62.79 Favored 'General case' 0 C--O 1.222 -0.364 0 O-C-N 123.581 0.55 . . . . 0.0 110.796 -179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -54.59 -67.29 0.28 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.574 0.702 . . . . 0.0 111.615 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.6 ptt-85 -79.46 -10.56 59.83 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.955 -173.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.566 HD11 ' HB3' ' A' ' 35' ' ' ASP . 64.2 mt -82.23 -33.56 29.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.022 0.439 . . . . 0.0 110.099 172.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -60.66 -38.98 86.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.619 173.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -85.74 -30.25 23.24 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.689 -178.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.601 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -60.48 -32.88 71.84 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.436 172.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -62.4 -47.52 83.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.469 0.652 . . . . 0.0 109.633 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.5 m -71.24 -41.98 69.43 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.051 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.86 ' HA ' HE21 ' A' ' 15' ' ' GLN . 0.0 OUTLIER -61.62 -42.49 98.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.53 177.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.48 -43.66 95.79 Favored Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.573 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.423 ' CD1' ' HB2' ' A' ' 47' ' ' ALA . 69.3 t80 -63.93 -39.3 93.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.132 0.491 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 22' ' ' ASN . 70.8 tttt -74.59 -17.62 60.69 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.193 0.521 . . . . 0.0 110.105 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.41 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -85.28 -24.23 27.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.429 -175.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.18 -35.92 92.24 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 119.912 -1.137 . . . . 0.0 110.975 172.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.484 ' CD2' ' HB1' ' A' ' 47' ' ' ALA . 0.3 OUTLIER -83.61 -55.53 4.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.446 0.641 . . . . 0.0 109.603 178.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 33.7 m-80 -94.41 -36.8 11.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.027 -0.988 . . . . 0.0 113.08 -170.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.41 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -80.5 -21.69 63.85 Favored Glycine 0 CA--C 1.511 -0.189 0 C-N-CA 120.226 -0.988 . . . . 0.0 111.759 -171.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 60.68 -63.24 0.07 Allowed 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.791 1.236 . . . . 0.0 113.297 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 m -99.45 167.77 10.41 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.087 0.47 . . . . 0.0 111.478 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.542 ' NE2' HD11 ' A' ' 41' ' ' LEU . 11.8 mt-30 -78.99 -12.97 60.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.927 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -77.51 14.7 0.93 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.428 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.598 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -108.45 24.29 13.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.289 177.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.8 t -102.9 94.46 5.34 Favored Pre-proline 0 CA--C 1.534 0.335 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.442 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.598 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 42.8 Cg_endo -93.33 26.15 0.38 Allowed 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 123.497 2.798 . . . . 0.0 113.646 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.77 ' HE2' ' HG2' ' A' ' 15' ' ' GLN . 89.6 m-85 -108.92 -46.03 3.69 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -175.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.594 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 6.5 tp60 -176.77 175.76 1.6 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -173.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.477 ' O ' ' HB2' ' A' ' 37' ' ' ARG . 49.5 mt-30 -101.08 -73.89 0.63 Allowed 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 174.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.4 t -71.57 -48.22 53.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 121.103 0.478 . . . . 0.0 111.24 -173.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.574 ' HB2' ' HG2' ' A' ' 32' ' ' GLN . 5.9 m-20 -67.27 -38.61 85.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.829 0.823 . . . . 0.0 109.402 -178.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.594 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -72.03 -26.17 62.09 Favored 'General case' 0 C--O 1.217 -0.624 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.6 178.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 19.4 ttt180 -61.97 -50.22 72.96 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.2 p -71.06 -29.79 65.77 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.716 -175.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -95.29 -63.58 1.15 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 120.57 -0.452 . . . . 0.0 112.128 178.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.601 ' HB2' ' HB1' ' A' ' 12' ' ' ALA . 85.1 t90 -64.68 -45.97 84.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.534 -174.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.542 HD11 ' NE2' ' A' ' 26' ' ' GLN . 1.5 tt -75.67 -25.8 57.08 Favored 'General case' 0 C--N 1.334 -0.07 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -173.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.14 -48.9 75.89 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.603 175.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.87 -35.02 72.13 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.489 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -57.21 -50.67 72.14 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 176.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.428 ' O ' ' HD3' ' A' ' 45' ' ' ARG . 2.7 tmt_? -58.72 -45.08 90.39 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.511 -177.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -55.58 -58.95 5.66 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.511 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.484 ' HB1' ' CD2' ' A' ' 21' ' ' LEU . . . -63.01 -42.21 99.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.674 -178.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.44 ' O ' ' HB2' ' A' ' 52' ' ' GLN . 23.9 tpt85 -54.37 -54.09 45.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.013 -178.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.436 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 30.8 t70 -81.91 -10.61 59.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.851 0.358 . . . . 0.0 111.766 -175.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -85.84 -26.51 25.65 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -86.9 -19.74 28.41 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 174.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.44 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 0.8 OUTLIER -83.04 -61.92 1.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.003 -1.453 . . . . 0.0 110.477 -179.148 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.666 ' HA ' ' HB2' ' A' ' 56' ' ' TYR . 66.6 m -77.18 -20.13 55.84 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.48 -177.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.28 -46.5 94.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.955 -0.64 . . . . 0.0 111.96 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -113.28 34.24 4.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.784 0.326 . . . . 0.0 110.236 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.666 ' HB2' ' HA ' ' A' ' 53' ' ' SER . 61.5 t80 -72.94 65.69 0.75 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.46 0.648 . . . . 0.0 110.301 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -107.05 8.98 30.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.394 0.616 . . . . 0.0 109.951 176.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.507 ' H ' HD23 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -72.19 172.07 10.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.783 174.322 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 71.97 0.77 3.66 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.68 0.752 . . . . 0.0 110.1 -173.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 32.5 m80 . . . . . 0 N--CA 1.451 -0.395 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.184 175.939 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 120.925 0.393 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -82.32 113.4 20.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.218 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -81.49 70.69 8.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.886 0.851 . . . . 0.0 109.47 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.591 ' HA ' ' OD2' ' A' ' 7' ' ' ASP . 10.4 pt20 -69.04 12.42 0.15 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 113.972 -1.467 . . . . 0.0 113.115 -176.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -62.37 -45.45 93.11 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 172.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 ttp-105 -59.26 -39.7 83.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.41 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.591 ' OD2' ' HA ' ' A' ' 4' ' ' GLN . 13.8 m-20 -57.65 -57.15 13.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.787 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -70.9 -21.74 62.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.479 -177.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.5 mt -77.68 -41.5 37.85 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.463 0.171 . . . . 0.0 111.463 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -71.14 -22.12 62.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.239 0.542 . . . . 0.0 110.03 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -75.93 -40.09 54.87 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 174.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.74 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -64.16 -33.53 76.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.21 174.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -59.65 -48.25 82.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.478 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -74.85 -41.21 60.3 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.304 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -60.56 -40.93 93.45 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.412 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.23 -42.16 98.57 Favored Glycine 0 N--CA 1.451 -0.34 0 CA-C-N 115.905 -0.589 . . . . 0.0 112.861 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -64.42 -37.95 89.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.095 0.474 . . . . 0.0 110.22 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -76.17 -23.72 54.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.029 0.442 . . . . 0.0 110.284 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.89 -20.3 42.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.713 -176.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.455 ' HA3' ' HB3' ' A' ' 47' ' ' ALA . . . -71.1 -20.39 77.92 Favored Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 119.904 -1.141 . . . . 0.0 111.213 173.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.454 ' HA ' ' HD2' ' A' ' 51' ' ' LYS . 0.3 OUTLIER -100.69 -49.71 4.09 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.497 0.665 . . . . 0.0 109.644 178.441 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.23 -37.63 11.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.901 -1.045 . . . . 0.0 112.423 -174.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.06 -17.54 67.05 Favored Glycine 0 CA--C 1.51 -0.272 0 C-N-CA 120.208 -0.996 . . . . 0.0 112.251 -170.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 61.08 -68.51 0.05 OUTLIER 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.19 0.996 . . . . 0.0 113.36 -178.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.9 m -94.98 173.59 7.51 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.131 0.491 . . . . 0.0 111.34 -174.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.426 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 55.7 mt-30 -84.38 -9.48 58.39 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 121.605 0.717 . . . . 0.0 109.292 174.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -68.69 -10.02 53.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.004 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.568 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -86.08 16.97 3.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.492 -178.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.6 t -102.2 96.32 6.89 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.97 0.414 . . . . 0.0 110.995 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.568 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 58.4 Cg_endo -89.26 -2.73 6.08 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 122.787 2.324 . . . . 0.0 113.216 177.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -76.25 -62.5 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -171.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -167.65 -176.55 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 -176.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.597 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 83.7 mm-40 -102.51 -76.91 0.57 Allowed 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 178.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.4 t -61.31 -58.94 5.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.55 0.691 . . . . 0.0 111.634 -172.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -68.7 -33.2 73.55 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.446 -173.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.417 ' O ' ' HB3' ' A' ' 40' ' ' TRP . . . -71.78 -27.74 63.16 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.493 179.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.622 ' HA ' ' HB2' ' A' ' 41' ' ' LEU . 95.3 mtt180 -64.31 -46.34 83.98 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 119.873 -0.731 . . . . 0.0 110.036 175.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 58.3 m -64.32 -32.15 73.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.137 -177.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -94.81 -66.04 0.94 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.094 0.473 . . . . 0.0 111.963 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.74 ' HB2' ' HB1' ' A' ' 12' ' ' ALA . 77.3 t90 -65.31 -49.29 70.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.51 -175.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.622 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 1.2 tt -75.96 -31.76 59.2 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -171.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.84 -46.22 94.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.41 174.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.67 -35.21 73.69 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.711 175.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -59.35 -43.29 92.82 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 122.409 0.283 . . . . 0.0 110.661 177.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' ' 41' ' ' LEU . 62.4 mtp180 -69.09 -33.01 72.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.096 -179.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -68.82 -43.46 75.54 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.33 0.586 . . . . 0.0 109.677 175.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.455 ' HB3' ' HA3' ' A' ' 20' ' ' GLY . . . -60.93 -41.6 96.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.642 175.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' A' ' 52' ' ' GLN . 3.6 mmp_? -55.71 -47.81 76.22 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.605 173.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.29 -23.6 65.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.707 -178.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -80.92 -35.34 32.55 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.577 0.703 . . . . 0.0 109.608 -177.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.454 ' HD2' ' HA ' ' A' ' 21' ' ' LEU . 29.5 mtpp -90.87 -10.66 41.81 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 178.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.501 ' OE1' ' HA ' ' A' ' 52' ' ' GLN . 5.8 tp60 -85.86 -34.62 20.96 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.287 -1.324 . . . . 0.0 110.183 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 59.1 m -67.54 -24.06 65.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.633 176.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -86.16 -16.04 63.55 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.426 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.7 mt 67.6 -59.99 0.4 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.254 1.022 . . . . 0.0 111.844 179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -155.6 -60.72 0.11 Allowed 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.795 -173.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -159.41 72.72 0.55 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.162 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 72.1 mt -100.45 -163.46 1.03 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.538 174.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -68.68 131.18 44.77 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.417 175.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 121.511 0.672 . . . . 0.0 109.28 175.572 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.49 0.186 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 65.7 tttt 59.57 67.87 0.85 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.914 166.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 78.4 mtt180 -102.18 23.38 11.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.16 -178.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -92.65 87.15 5.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.845 0.355 . . . . 0.0 111.449 -178.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.412 ' HE2' ' HB3' ' A' ' 5' ' ' LYS . 49.1 mtpt -107.7 -58.66 1.94 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.54 0.686 . . . . 0.0 109.806 175.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -74.32 -28.84 61.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.141 -177.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -51.81 -60.16 3.49 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.063 178.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -69.34 -27.51 65.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.572 -176.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.2 mt -74.79 -38.53 62.11 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.969 -0.293 . . . . 0.0 111.46 -178.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 13' ' ' GLN . 43.5 tt0 -67.2 -29.76 69.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.67 0.748 . . . . 0.0 109.474 173.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -70.99 -39.56 72.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.187 -0.915 . . . . 0.0 108.829 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.51 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -63.95 -30.64 71.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.286 173.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.405 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 29.6 tt0 -63.69 -50.54 68.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.051 0.453 . . . . 0.0 109.977 177.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.3 m -65.5 -37.71 87.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.45 177.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -65.07 -43.26 92.81 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.783 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.3 -37.72 94.25 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 112.213 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -64.52 -40.73 96.17 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -69.12 -30.4 68.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.401 175.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.475 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -76.21 -22.72 54.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.496 -177.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.463 ' HA3' ' HB3' ' A' ' 47' ' ' ALA . . . -69.72 -22.83 76.93 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.395 -0.907 . . . . 0.0 111.664 174.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.413 ' CD2' ' HB1' ' A' ' 47' ' ' ALA . 0.2 OUTLIER -98.79 -47.41 5.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.363 0.601 . . . . 0.0 109.452 177.768 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -100.12 -37.69 8.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.926 -1.033 . . . . 0.0 112.849 -171.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -77.55 -22.12 70.7 Favored Glycine 0 CA--C 1.507 -0.453 0 C-N-CA 120.103 -1.046 . . . . 0.0 111.766 -171.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 66.24 -61.25 0.29 Allowed 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.589 0.756 . . . . 0.0 112.7 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.6 m -105.17 172.61 6.7 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.005 0.431 . . . . 0.0 111.746 -174.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -81.17 -14.27 57.77 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-O 121.647 0.737 . . . . 0.0 109.221 175.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -58.17 -10.94 2.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.418 -1.264 . . . . 0.0 111.105 177.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.479 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -92.01 22.41 4.34 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.688 -177.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 47.4 t -108.81 90.46 7.6 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-O 120.946 0.403 . . . . 0.0 111.231 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.479 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 52.1 Cg_endo -91.14 16.81 1.51 Allowed 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 123.199 2.599 . . . . 0.0 113.861 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -100.73 -68.33 0.82 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.003 0.43 . . . . 0.0 112.149 -172.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.523 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 6.3 tp-100 -154.66 176.29 12.61 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -175.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.419 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 6.7 tp-100 -101.14 -76.01 0.57 Allowed 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.905 176.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.9 t -63.97 -54.93 25.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 121.4 0.619 . . . . 0.0 111.373 -173.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.84 -42.64 99.82 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.845 0.831 . . . . 0.0 109.521 -177.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.523 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -70.67 -28.84 65.09 Favored 'General case' 0 C--O 1.215 -0.758 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.783 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.563 ' HA ' ' HB2' ' A' ' 41' ' ' LEU . 32.7 ttt85 -57.97 -49.08 78.03 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 174.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.6 t -63.86 -41.46 97.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.526 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -89.0 -60.75 1.87 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.51 ' HB2' ' HB1' ' A' ' 12' ' ' ALA . 73.9 t90 -70.6 -50.26 39.04 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.433 -174.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.563 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 2.1 tt -76.32 -34.07 59.02 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 -170.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.84 -43.62 97.81 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.825 -0.703 . . . . 0.0 111.427 174.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.5 -36.03 82.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.87 177.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.7 t90 -57.14 -47.67 80.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.83 0.348 . . . . 0.0 110.547 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -66.88 -36.56 82.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.213 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -71.15 -40.65 71.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.851 0.358 . . . . 0.0 110.471 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.463 ' HB3' ' HA3' ' A' ' 20' ' ' GLY . . . -58.07 -40.83 82.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.818 177.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -54.66 -52.44 62.32 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.877 174.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.576 ' HA ' ' HB2' ' A' ' 52' ' ' GLN . 36.1 t70 -69.92 -13.67 62.36 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.824 -176.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -85.52 -28.9 24.63 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.788 0.804 . . . . 0.0 109.101 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -92.54 -16.11 26.13 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.576 ' HB2' ' HA ' ' A' ' 49' ' ' ASP . 14.2 mm-40 -89.65 -24.1 21.72 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.332 -1.304 . . . . 0.0 111.624 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.0 p -77.35 -7.55 56.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.081 0.467 . . . . 0.0 111.031 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.1 -14.76 76.41 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.104 -0.57 . . . . 0.0 111.922 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.4 mp -90.95 -62.15 1.51 Allowed 'General case' 0 C--O 1.237 0.419 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.559 ' O ' ' HB2' ' A' ' 57' ' ' LYS . 66.8 t80 69.14 -64.58 0.33 Allowed 'General case' 0 CA--C 1.533 0.291 0 O-C-N 124.569 1.168 . . . . 0.0 110.144 -175.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.559 ' HB2' ' O ' ' A' ' 56' ' ' TYR . 39.1 ttmt 161.74 22.29 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.985 1.314 . . . . 0.0 109.408 177.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.2 mt -142.82 -38.45 0.35 Allowed 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 122.022 -0.424 . . . . 0.0 111.117 -172.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 66.15 88.72 0.1 Allowed 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.947 -173.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 . . . . . 0 C--N 1.323 -0.55 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 177.135 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.7 mtp . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.488 ' HB2' ' OD1' ' A' ' 7' ' ' ASP . 0.2 OUTLIER -71.28 154.2 41.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.91 0.386 . . . . 0.0 111.312 -174.264 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.619 ' HA ' ' NE ' ' A' ' 3' ' ' ARG . 3.1 mmp_? -137.2 26.29 2.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.724 174.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -79.95 -178.2 6.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.339 176.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -75.97 -38.4 57.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.497 0.665 . . . . 0.0 109.284 173.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 6' ' ' ARG . 23.1 ttt180 -69.09 -17.28 63.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.911 177.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.488 ' OD1' ' HB2' ' A' ' 2' ' ' LYS . 15.0 t70 -51.06 -59.98 3.59 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.7 0.762 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 49.7 ptt85 -71.5 -14.67 62.19 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 114.707 -1.133 . . . . 0.0 110.933 -174.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.541 HD21 ' OD1' ' A' ' 35' ' ' ASP . 57.9 mt -89.83 -49.12 6.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.534 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -66.72 -29.59 69.61 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.404 0.621 . . . . 0.0 109.726 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -84.54 -27.49 27.31 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.204 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.402 ' HB2' ' O ' ' A' ' 8' ' ' ARG . . . -64.73 -33.06 75.07 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.063 0.458 . . . . 0.0 109.766 168.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -63.01 -41.52 99.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.063 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -81.49 -39.14 25.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.826 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.479 ' NE2' ' HE1' ' A' ' 40' ' ' TRP . 0.7 OUTLIER -71.44 -25.66 62.4 Favored 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.327 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.95 -37.38 94.2 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 173.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.549 ' CD1' ' HB2' ' A' ' 47' ' ' ALA . 64.8 t80 -63.52 -45.93 88.36 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 174.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -60.4 -35.52 75.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.277 174.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.11 -36.75 72.28 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.207 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.08 -29.85 75.77 Favored Glycine 0 C--N 1.315 -0.587 0 C-N-CA 120.126 -1.035 . . . . 0.0 111.83 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.651 HD13 ' HB1' ' A' ' 47' ' ' ALA . 2.0 mp -80.19 -52.65 7.49 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.538 0.685 . . . . 0.0 110.616 177.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -100.69 -41.83 6.76 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.768 -1.105 . . . . 0.0 112.274 -168.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.57 -20.92 59.14 Favored Glycine 0 CA--C 1.501 -0.785 0 C-N-CA 120.041 -1.076 . . . . 0.0 110.842 -169.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 64.58 -58.61 0.24 Allowed 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 114.366 -0.917 . . . . 0.0 112.734 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.0 m -94.56 175.45 6.67 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.071 0.462 . . . . 0.0 112.13 -170.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -85.71 -16.34 39.3 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.679 177.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -57.09 -18.77 15.94 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.769 177.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.471 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -82.21 20.02 1.1 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.09 -176.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.8 t -107.59 92.84 9.11 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 111.284 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.471 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 43.1 Cg_endo -92.33 41.77 0.31 Allowed 'Trans proline' 0 CA--C 1.533 0.461 0 C-N-CA 123.194 2.596 . . . . 0.0 113.091 176.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -113.14 -86.24 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -175.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.554 ' HG3' ' H ' ' A' ' 33' ' ' GLN . 51.0 tp60 -152.41 -178.16 6.66 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -170.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.554 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 53.0 tt0 -99.57 -76.24 0.55 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 118.367 0.531 . . . . 0.0 112.39 175.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 67.5 t -57.0 -62.07 1.03 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.834 0 CA-C-O 121.554 0.692 . . . . 0.0 112.012 -170.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.541 ' OD1' HD21 ' A' ' 9' ' ' LEU . 1.1 p30 -68.86 -34.4 75.39 Favored 'General case' 0 CA--C 1.497 -1.077 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.801 -173.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 32' ' ' GLN . . . -70.21 -33.15 71.33 Favored 'General case' 0 N--CA 1.427 -1.614 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.327 -175.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.592 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 89.2 mtt-85 -58.36 -47.85 82.47 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 173.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.1 t -64.64 -31.49 72.74 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.258 -174.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -100.76 -55.4 2.59 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -177.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.479 ' HE1' ' NE2' ' A' ' 15' ' ' GLN . 70.3 t90 -66.21 -42.18 89.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.232 -173.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.592 ' HB2' ' O ' ' A' ' 37' ' ' ARG . 23.5 mt -71.82 -22.3 61.57 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.963 -177.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.21 -47.56 63.62 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 120.286 -0.959 . . . . 0.0 111.275 177.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.65 -33.42 63.56 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.82 176.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 77.5 t90 -63.55 -50.77 68.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.432 0.158 . . . . 0.0 110.592 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 45' ' ' ARG . 46.3 mtm180 -64.07 -36.87 85.43 Favored 'General case' 0 CA--C 1.521 -0.172 0 C-N-CA 121.216 -0.194 . . . . 0.0 111.044 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.36 -58.62 7.72 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.651 ' HB1' HD13 ' A' ' 21' ' ' LEU . . . -60.03 -48.66 80.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.795 -179.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.518 ' O ' ' HB2' ' A' ' 52' ' ' GLN . 24.2 tpt180 -63.65 -51.09 66.68 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.136 -173.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.517 ' HA ' ' HB3' ' A' ' 52' ' ' GLN . 27.1 t70 -75.34 -17.28 60.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.933 0.397 . . . . 0.0 111.45 -174.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -79.24 -28.65 42.45 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.559 ' HG3' ' CB ' ' A' ' 56' ' ' TYR . 3.8 ttmp? -90.03 -18.52 25.8 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.184 -1.371 . . . . 0.0 108.244 176.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.518 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 6.7 tt0 -87.11 -75.39 0.4 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.479 -1.237 . . . . 0.0 112.036 -173.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.9 p -78.73 -23.46 45.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.142 -173.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -79.72 -14.95 80.37 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.385 -0.912 . . . . 0.0 111.348 177.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.3 mt 61.23 88.74 0.08 Allowed 'General case' 0 CA--C 1.522 -0.106 0 CA-C-O 121.275 0.559 . . . . 0.0 110.825 -177.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.559 ' CB ' ' HG3' ' A' ' 51' ' ' LYS . 66.5 t80 -57.78 -21.53 42.17 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.336 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.502 ' HB3' ' O ' ' A' ' 56' ' ' TYR . 24.6 tptm 73.8 79.42 0.13 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.685 0.755 . . . . 0.0 109.289 -175.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 58' ' ' LEU . 4.6 mp -94.74 159.93 14.84 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.269 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -162.09 101.89 1.12 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.26 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 53.3 m-70 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.904 178.419 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.4 ttp . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 120.669 0.271 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.16 154.63 37.19 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 175.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.6 mtp-105 -100.02 -62.93 1.18 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.118 0.485 . . . . 0.0 110.358 176.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.556 ' HB2' ' HB2' ' A' ' 7' ' ' ASP . 4.0 pt20 -85.47 82.86 8.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.818 -173.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -96.96 -48.38 5.44 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.509 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.474 ' HA ' HD12 ' A' ' 9' ' ' LEU . 24.9 ttm-85 -92.26 -15.64 27.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.032 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.556 ' HB2' ' HB2' ' A' ' 4' ' ' GLN . 3.0 m-20 -55.18 -46.89 75.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.681 178.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -81.38 -6.33 58.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.99 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 6' ' ' ARG . 71.0 mt -87.36 -39.7 15.07 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 175.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -64.41 -30.59 71.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.823 0.82 . . . . 0.0 109.036 171.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.49 -39.76 58.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.591 -1.186 . . . . 0.0 108.992 177.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.627 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -63.68 -25.41 68.2 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.666 176.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -64.13 -49.19 73.14 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.0 m -67.2 -38.05 84.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.25 0.548 . . . . 0.0 110.367 177.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.493 ' HG2' ' HE2' ' A' ' 31' ' ' TYR . 7.1 tp60 -65.09 -39.24 92.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.607 178.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.83 -37.83 88.78 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.971 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -58.07 -48.18 80.92 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 174.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -62.48 -34.74 77.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.517 176.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.408 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -70.04 -23.59 63.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.132 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.4 -33.75 64.12 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.171 -1.014 . . . . 0.0 111.423 174.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.493 HD13 ' HD2' ' A' ' 51' ' ' LYS . 4.0 mm? -81.79 -60.92 2.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.556 0.693 . . . . 0.0 110.184 176.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -100.27 -30.99 11.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.73 -1.123 . . . . 0.0 112.819 -170.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.408 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -71.71 -20.45 78.61 Favored Glycine 0 C--O 1.235 0.191 0 C-N-CA 120.322 -0.942 . . . . 0.0 112.252 -170.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 69.03 -55.48 0.55 Allowed 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.435 0.694 . . . . 0.0 112.756 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.4 m -128.76 173.69 10.12 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -172.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.433 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 6.4 mt-30 -79.91 -15.7 56.79 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.933 178.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -59.01 -19.23 41.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.737 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.583 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -85.4 27.38 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.143 -176.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.5 t -105.26 94.41 8.04 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.004 0.431 . . . . 0.0 110.863 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.583 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 40.6 Cg_endo -95.8 17.55 0.74 Allowed 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 123.241 2.628 . . . . 0.0 114.493 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.493 ' HE2' ' HG2' ' A' ' 15' ' ' GLN . 71.2 m-85 -99.4 -85.81 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.053 0.454 . . . . 0.0 112.223 -174.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.597 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 49.8 tp60 -124.89 177.76 5.85 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -176.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.46 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 89.5 mt-30 -101.13 -76.23 0.57 Allowed 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.874 177.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 67.6 t -70.68 -50.38 44.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.31 0.576 . . . . 0.0 110.734 -175.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.528 ' HB2' ' HG2' ' A' ' 32' ' ' GLN . 1.5 m-20 -61.02 -45.06 96.32 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.487 -178.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.597 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -65.74 -31.56 72.62 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 114.671 -1.15 . . . . 0.0 111.119 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -60.16 -50.89 71.88 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.187 -0.605 . . . . 0.0 109.857 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.0 p -67.2 -27.48 67.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.229 -174.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -99.98 -63.93 1.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.627 ' HB2' ' HB1' ' A' ' 12' ' ' ALA . 83.3 t90 -61.22 -49.17 78.23 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.042 -177.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 41' ' ' LEU . 1.3 tt -79.56 -22.69 43.48 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 -175.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.59 -43.83 97.43 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.816 -0.706 . . . . 0.0 111.372 173.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.71 -36.29 61.97 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.683 175.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 85.9 t90 -58.63 -51.29 70.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.168 0.508 . . . . 0.0 110.23 176.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 45' ' ' ARG . 1.3 mmm180 -61.91 -34.55 76.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.151 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.74 -56.44 10.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.091 0.472 . . . . 0.0 110.447 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.12 -42.5 99.55 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.585 -177.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -61.49 -45.28 94.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.99 0.424 . . . . 0.0 110.35 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.629 ' HA ' ' HB3' ' A' ' 52' ' ' GLN . 33.8 t70 -74.28 -14.4 60.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.38 0.61 . . . . 0.0 110.768 -179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -77.96 -34.04 51.21 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.493 ' HD2' HD13 ' A' ' 21' ' ' LEU . 22.8 mtpp -87.41 -16.38 35.06 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 176.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.629 ' HB3' ' HA ' ' A' ' 49' ' ' ASP . 27.0 tt0 -79.51 -20.62 46.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 113.964 -1.471 . . . . 0.0 109.728 177.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 67.9 m -85.67 6.76 26.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.905 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -57.75 -28.76 60.64 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 121.192 -0.528 . . . . 0.0 111.975 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 71.1 mt -100.04 61.41 1.1 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 173.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.0 p90 -74.64 -2.85 27.95 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.759 -176.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -165.29 -56.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.401 -175.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.8 mt -67.35 163.39 20.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.174 0.511 . . . . 0.0 111.849 -175.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -112.88 -157.4 0.62 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.522 -176.41 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' A' ' 59' ' ' GLU . 54.9 m170 . . . . . 0 N--CA 1.474 0.768 0 C-N-CA 124.198 0.999 . . . . 0.0 110.787 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.483 1.18 0 CA-C-O 120.802 0.334 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -103.31 -36.06 8.19 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -169.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -70.15 -25.53 63.5 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.986 0.422 . . . . 0.0 111.508 -173.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -68.4 -35.73 78.08 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.247 -173.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -74.79 -26.11 59.52 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.231 -0.588 . . . . 0.0 110.92 -174.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.504 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 51.5 ttm-85 -71.54 -44.44 64.59 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -49.05 -53.27 20.98 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.804 0.811 . . . . 0.0 110.462 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -59.67 -33.36 71.46 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.526 -177.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 35' ' ' ASP . 53.5 mt -85.91 -32.24 21.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.745 -177.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 6' ' ' ARG . 22.1 mm-40 -59.73 -31.61 69.78 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.433 0.635 . . . . 0.0 109.773 174.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 11' ' ' ARG . 13.2 mtp180 -88.44 -32.8 18.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.163 178.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.435 ' HB3' ' HA ' ' A' ' 9' ' ' LEU . . . -59.14 -30.32 68.06 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.477 175.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -66.58 -51.43 56.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.386 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.7 m -65.44 -35.09 79.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.368 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -62.9 -45.95 90.1 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.948 176.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.92 -34.29 89.54 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.128 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.491 ' HE1' ' OD2' ' A' ' 46' ' ' ASP . 8.1 t80 -62.45 -49.34 75.8 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -64.7 -32.07 73.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.22 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.439 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -71.74 -14.65 62.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.808 176.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.01 -33.81 56.66 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.572 174.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -91.44 -43.2 9.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.47 0.653 . . . . 0.0 110.214 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -100.36 -38.12 8.58 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.388 -0.824 . . . . 0.0 112.87 -173.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.439 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -76.25 -17.83 79.71 Favored Glycine 0 CA--C 1.511 -0.209 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.235 -171.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 69.11 -63.77 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 123.688 0.795 . . . . 0.0 112.642 177.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.7 m -111.82 169.35 8.89 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.002 0.43 . . . . 0.0 111.718 -171.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.474 ' OE1' HD21 ' A' ' 41' ' ' LEU . 25.4 mt-30 -86.5 -6.55 58.87 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.736 0.779 . . . . 0.0 109.076 177.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.76 12.54 1.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.541 -1.209 . . . . 0.0 110.093 -179.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.662 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -117.33 27.88 8.82 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.723 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 44.1 t -102.89 90.71 2.47 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.812 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.662 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 49.3 Cg_endo -92.94 3.08 3.53 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.967 2.445 . . . . 0.0 114.527 -175.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -77.5 -68.65 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -173.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.562 HE21 ' HA ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -146.41 -171.92 3.84 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -174.341 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.505 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 45.3 mt-30 -100.98 -76.92 0.55 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.186 0.517 . . . . 0.0 111.7 175.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 41.9 t -74.24 -47.94 38.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.826 -173.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.456 ' O ' ' HD1' ' A' ' 39' ' ' TYR . 10.9 m-20 -64.72 -44.33 90.53 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.572 -178.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.91 -32.36 73.82 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.228 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.455 HH11 ' HD3' ' A' ' 37' ' ' ARG . 37.2 ttt180 -59.62 -51.34 70.22 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.755 0.312 . . . . 0.0 110.163 176.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 t -68.32 -30.63 69.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.5 -172.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.456 ' HD1' ' O ' ' A' ' 35' ' ' ASP . 65.9 m-85 -92.44 -68.77 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.18 0.514 . . . . 0.0 111.75 -179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 59.5 t90 -63.92 -48.73 75.4 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.04 -174.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.474 HD21 ' OE1' ' A' ' 26' ' ' GLN . 5.1 tt -78.59 -33.74 47.31 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -172.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.86 -43.55 99.14 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 173.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.93 -37.81 93.61 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.808 175.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -57.64 -53.52 57.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.701 0.286 . . . . 0.0 110.522 177.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -64.92 -36.71 85.24 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.062 -178.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.491 ' OD2' ' HE1' ' A' ' 17' ' ' TYR . 35.3 t70 -62.35 -50.34 71.97 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.973 0.416 . . . . 0.0 110.008 179.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.41 96.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.043 178.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 48' ' ' ARG . 9.4 tpt180 -58.75 -47.09 85.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.157 178.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.606 ' HA ' ' HB3' ' A' ' 52' ' ' GLN . 31.1 t70 -76.63 -11.47 59.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.481 0.658 . . . . 0.0 110.963 -177.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -84.39 -25.37 29.12 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -95.81 -15.96 22.18 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 176.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.606 ' HB3' ' HA ' ' A' ' 49' ' ' ASP . 23.8 tp60 -88.59 -55.04 3.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.232 -1.349 . . . . 0.0 111.441 -176.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.6 m -82.31 1.31 37.56 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.347 -177.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -74.79 4.59 36.23 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 121.125 -0.559 . . . . 0.0 112.361 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 60.5 mt -97.24 3.59 51.31 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.519 0.199 . . . . 0.0 111.077 -178.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 72.0 t80 63.07 17.69 10.33 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.379 0.609 . . . . 0.0 111.325 174.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 57' ' ' LYS . 73.1 mmtt -76.25 -4.03 39.75 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 121.975 -0.453 . . . . 0.0 112.211 -174.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 86.2 mt -94.56 -51.09 4.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.429 -0.169 . . . . 0.0 111.331 -177.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 58.36 -160.86 0.25 Allowed 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.48 0.487 . . . . 0.0 110.987 -175.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 71.1 m80 . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 120.629 0.252 . . . . 0.0 110.862 -178.931 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 121.033 0.444 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.517 ' HE2' ' OD1' ' A' ' 7' ' ' ASP . 59.2 tttt -151.17 -72.64 0.16 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.69 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 69.07 -65.84 0.28 Allowed 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.4 1.08 . . . . 0.0 111.48 178.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.508 ' HA ' ' OD1' ' A' ' 7' ' ' ASP . 32.3 tt0 -163.04 14.29 0.07 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.322 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -63.91 -68.9 0.31 Allowed 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 121.038 0.447 . . . . 0.0 111.324 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -64.82 -22.97 67.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.741 -176.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.517 ' OD1' ' HE2' ' A' ' 2' ' ' LYS . 4.6 m-20 -58.84 -63.72 1.2 Allowed 'General case' 0 C--O 1.24 0.581 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.638 178.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' ' 4' ' ' GLN . 5.8 ptp85 -66.93 -28.71 68.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.737 -179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.627 HD11 ' HB3' ' A' ' 35' ' ' ASP . 68.2 mt -71.53 -37.71 71.15 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.415 179.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -60.07 -39.77 87.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.309 0.575 . . . . 0.0 109.556 175.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -75.33 -39.56 59.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.23 -0.895 . . . . 0.0 109.346 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.446 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -59.67 -28.92 67.69 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.827 176.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -71.57 -45.72 61.45 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.072 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.9 m -70.26 -39.52 74.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.409 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -43.16 74.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.776 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.21 -37.47 93.0 Favored Glycine 0 N--CA 1.453 -0.196 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.013 177.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.408 ' OH ' ' HG2' ' A' ' 50' ' ' GLU . 27.3 t80 -55.88 -54.37 45.49 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 174.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -67.48 -30.28 69.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.378 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.43 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -66.54 -16.36 64.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.93 0.395 . . . . 0.0 111.012 177.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.92 -34.14 71.01 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.196 -1.002 . . . . 0.0 111.539 171.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -92.46 -41.85 10.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.501 0.667 . . . . 0.0 110.118 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -95.29 -41.82 8.84 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.479 -173.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.43 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -77.38 -26.79 60.76 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.288 -0.958 . . . . 0.0 111.365 -175.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.2 ttp85 67.43 -55.07 0.47 Allowed 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.85 0.86 . . . . 0.0 112.472 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.9 m -103.71 -177.86 3.49 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.741 0.305 . . . . 0.0 111.076 -177.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -97.21 -16.42 20.4 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 122.018 0.913 . . . . 0.0 108.619 -177.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.75 0.41 5.67 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.093 -1.412 . . . . 0.0 111.166 179.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.594 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -91.33 21.91 4.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.542 176.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 42.8 t -104.67 92.33 4.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.719 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.594 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 62.0 Cg_endo -92.77 8.4 2.73 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 123.163 2.576 . . . . 0.0 113.383 178.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -82.78 -70.72 0.53 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -174.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.555 ' HG2' ' HB2' ' A' ' 35' ' ' ASP . 48.1 tp60 -153.09 179.96 8.24 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 -172.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.407 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 54.5 tp60 -100.59 -75.84 0.57 Allowed 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.848 174.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.9 t -72.26 -47.49 53.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.213 0.53 . . . . 0.0 110.84 -172.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.627 ' HB3' HD11 ' A' ' 9' ' ' LEU . 2.0 m-20 -60.94 -48.22 82.81 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.844 0.83 . . . . 0.0 109.562 178.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.539 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -66.93 -32.86 74.39 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.046 -178.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -55.76 -47.97 76.08 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.1 t -61.8 -44.76 96.23 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.391 -175.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -94.66 -56.16 2.88 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -175.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.446 ' HB2' ' HB1' ' A' ' 12' ' ' ALA . 66.4 t90 -65.49 -46.88 77.98 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.695 -176.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.54 -26.04 50.69 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -177.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.43 -51.16 58.27 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.432 174.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.99 -31.32 77.7 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 121.128 -0.558 . . . . 0.0 111.824 176.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.544 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 29.5 t90 -59.4 -48.5 81.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.036 0.446 . . . . 0.0 109.876 176.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.408 ' HD3' HH11 ' A' ' 45' ' ' ARG . 11.5 mmm-85 -70.22 -36.65 74.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.027 177.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -57.81 -48.16 80.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.33 0.586 . . . . 0.0 110.01 178.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.41 -40.86 97.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.249 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.544 ' HG3' ' O ' ' A' ' 44' ' ' TRP . 41.0 mtp180 -64.46 -35.27 80.38 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.088 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.413 ' HA ' ' HB2' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -77.68 -19.63 55.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.501 0.667 . . . . 0.0 110.167 -179.803 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.408 ' HG2' ' OH ' ' A' ' 17' ' ' TYR . 9.9 tp10 -84.88 -28.19 26.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.079 -0.964 . . . . 0.0 108.733 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.0 tttp -86.29 -19.33 30.03 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 175.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.542 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 32.2 tp60 -72.28 -62.6 1.38 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.06 -1.427 . . . . 0.0 109.851 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 31.6 t -81.29 -3.65 53.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.25 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.53 -23.75 64.36 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.598 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 33.4 tp -83.39 -78.74 0.21 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.96 0.409 . . . . 0.0 110.367 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -172.01 43.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.838 0.827 . . . . 0.0 109.114 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.531 ' HB2' ' O ' ' A' ' 52' ' ' GLN . 0.7 OUTLIER -86.37 -10.73 53.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.856 178.324 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.407 ' HB3' ' O ' ' A' ' 57' ' ' LYS . 57.3 tp 71.98 -83.86 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.815 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -149.12 -173.82 4.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.315 -0.402 . . . . 0.0 109.948 -177.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 . . . . . 0 C--N 1.326 -0.43 0 CA-C-O 121.277 0.561 . . . . 0.0 110.129 174.547 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.582 0.23 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -72.51 147.41 46.04 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 177.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 59.37 61.07 2.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.716 0.769 . . . . 0.0 109.729 -170.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.522 ' H ' ' CD ' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -81.52 28.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.326 -174.893 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -61.97 -41.29 97.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.785 176.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 6' ' ' ARG . 6.1 tpt180 -63.88 -27.0 68.86 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.781 -177.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.46 ' HB3' ' O ' ' A' ' 4' ' ' GLN . 7.6 t70 -55.15 -60.4 3.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.407 0.622 . . . . 0.0 110.66 177.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -77.74 -20.81 52.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.439 -174.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.598 HD11 ' HB3' ' A' ' 35' ' ' ASP . 23.9 mt -82.16 -46.28 14.01 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -66.14 -31.04 71.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.835 0.826 . . . . 0.0 109.28 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -77.63 -34.89 53.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.82 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.4 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -65.39 -28.94 69.62 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.238 173.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.13 -45.17 74.33 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.9 t -66.56 -44.93 80.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.189 175.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -59.65 -42.91 93.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.789 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.447 ' O ' ' HA ' ' A' ' 44' ' ' TRP . . . -62.76 -42.54 99.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.269 -0.491 . . . . 0.0 112.09 178.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -58.08 -50.41 73.55 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -62.79 -35.01 78.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.543 176.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.49 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -66.15 -20.91 66.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.072 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.03 -41.81 92.78 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.319 -0.943 . . . . 0.0 111.571 173.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -84.74 -48.31 9.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.93 0.395 . . . . 0.0 110.457 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.84 -39.13 8.35 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -173.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.49 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -71.26 -25.46 75.47 Favored Glycine 0 CA--C 1.512 -0.139 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.876 -171.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 ttp85 68.88 -65.68 0.28 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.58 0.752 . . . . 0.0 112.411 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.0 m -104.46 171.19 7.47 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.065 0.46 . . . . 0.0 111.724 -174.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.477 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 10.4 mt-30 -91.08 -11.68 37.92 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.498 0.666 . . . . 0.0 110.072 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -67.86 -8.88 40.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.211 176.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.679 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -88.86 23.61 2.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.398 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.9 t -100.15 94.75 3.47 Favored Pre-proline 0 CA--C 1.534 0.352 0 CA-C-O 120.952 0.406 . . . . 0.0 110.548 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.679 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 38.0 Cg_endo -94.47 34.39 0.18 Allowed 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 123.472 2.781 . . . . 0.0 113.57 -178.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -111.12 -81.26 0.58 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.581 0.585 . . . . 0.0 112.581 -175.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.436 ' CG ' ' H ' ' A' ' 33' ' ' GLN . 27.7 tt0 -150.77 -172.73 4.27 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -172.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.436 ' H ' ' CG ' ' A' ' 32' ' ' GLN . 14.4 mt-30 -100.53 -77.41 0.54 Allowed 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 118.302 0.501 . . . . 0.0 112.134 -179.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.0 t -67.41 -54.66 21.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 CA-C-O 121.339 0.59 . . . . 0.0 111.066 -173.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.598 ' HB3' HD11 ' A' ' 9' ' ' LEU . 3.1 m-20 -60.88 -48.56 81.26 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.07 -176.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.23 -30.45 71.5 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.25 -1.341 . . . . 0.0 111.488 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 66.6 ttt180 -59.7 -53.88 52.84 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 178.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.2 m -70.34 -25.26 63.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.432 -174.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -96.33 -58.3 2.1 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.477 ' CH2' ' HA ' ' A' ' 26' ' ' GLN . 67.6 t90 -71.25 -51.67 23.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.833 -175.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 tt -71.43 -34.42 70.27 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -175.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -58.94 -51.34 59.78 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.683 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.67 -33.22 80.12 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.999 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.447 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 90.8 t90 -58.26 -55.81 30.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.035 0.445 . . . . 0.0 110.647 177.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.7 ttt-85 -72.23 -31.12 65.55 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.082 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -55.52 -57.2 12.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.538 178.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.89 -49.84 75.36 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.161 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 48' ' ' ARG . 12.9 mtp180 -58.74 -59.98 4.56 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.266 -177.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.424 ' HA ' ' HB3' ' A' ' 52' ' ' GLN . 12.6 t70 -63.25 -25.53 68.37 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.325 0.391 . . . . 0.0 111.86 -172.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -83.31 -29.5 28.27 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.287 0.565 . . . . 0.0 109.851 -172.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -99.63 -5.1 29.56 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.933 0.873 . . . . 0.0 108.654 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.424 ' HB3' ' HA ' ' A' ' 49' ' ' ASP . 20.6 tm0? -83.95 -41.02 17.79 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.085 -1.416 . . . . 0.0 110.136 176.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.674 ' HA ' ' HB2' ' A' ' 56' ' ' TYR . 29.5 p -100.17 5.41 44.79 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.198 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -53.59 -40.78 63.52 Favored Glycine 0 C--N 1.334 0.443 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.248 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.8 tp -119.11 -59.0 1.89 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 172.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.674 ' HB2' ' HA ' ' A' ' 53' ' ' SER . 75.6 t80 66.36 -5.46 0.59 Allowed 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.55 171.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 56' ' ' TYR . 67.6 mttm 67.02 24.78 9.42 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -169.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.7 tt -69.55 -60.08 2.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.706 -175.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -70.92 152.47 43.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.463 -174.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 15.1 p80 . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.299 -175.287 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.624 0.249 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.3 tttp -81.04 85.69 6.25 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.214 0.53 . . . . 0.0 110.311 -175.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.417 ' NE ' ' HA ' ' A' ' 3' ' ' ARG . 4.5 tpm_? -116.64 6.51 13.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.904 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 65.16 11.94 7.59 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.624 178.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -81.21 -34.78 32.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.5 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -64.83 -35.61 81.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -54.24 -54.73 35.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.177 0.513 . . . . 0.0 110.619 178.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.464 ' NH2' ' HB2' ' A' ' 32' ' ' GLN . 8.0 ptt-85 -70.29 -23.22 62.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.554 -177.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.1 mt -78.23 -46.46 20.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.932 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -70.0 -23.8 63.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.326 0.584 . . . . 0.0 109.651 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.4 mtp180 -80.28 -30.41 38.33 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.493 174.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.95 -26.1 68.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.953 172.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -65.39 -38.74 90.9 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 177.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.3 t -75.52 -37.39 60.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.845 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -59.53 -44.58 93.16 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.863 176.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.445 ' HA2' ' HB3' ' A' ' 19' ' ' ALA . . . -65.55 -34.61 89.57 Favored Glycine 0 N--CA 1.45 -0.379 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.294 178.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.464 ' CD2' ' HB2' ' A' ' 47' ' ' ALA . 36.3 t80 -60.28 -43.75 95.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.124 0.488 . . . . 0.0 109.94 176.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -73.64 -29.14 62.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.404 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.492 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -75.46 -18.22 59.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.689 -177.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.0 -23.67 77.65 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 120.347 -0.93 . . . . 0.0 111.408 174.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.59 -49.91 4.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.648 0.737 . . . . 0.0 109.765 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -99.66 -33.31 10.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.588 -173.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.492 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -75.75 -9.35 84.96 Favored Glycine 0 CA--C 1.506 -0.49 0 C-N-CA 120.433 -0.889 . . . . 0.0 111.049 -175.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 66.05 -69.85 0.11 Allowed 'General case' 0 CA--C 1.536 0.428 0 O-C-N 124.579 0.811 . . . . 0.0 112.681 178.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.475 ' HB3' ' OE1' ' A' ' 27' ' ' GLU . 14.9 m -111.43 -173.35 2.22 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.258 -171.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.421 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 13.6 mt-30 -97.4 -17.51 19.65 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 122.443 1.116 . . . . 0.0 108.077 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.475 ' OE1' ' HB3' ' A' ' 25' ' ' SER . 19.6 mp0 -64.74 -12.97 52.93 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 113.191 -1.822 . . . . 0.0 111.002 178.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.636 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -86.08 12.48 9.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.516 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.4 t -82.32 103.27 2.17 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.846 0.355 . . . . 0.0 110.563 178.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.636 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 74.8 Cg_endo -78.13 -24.6 8.0 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.789 2.326 . . . . 0.0 113.825 -175.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -96.86 135.07 39.36 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 119.076 -0.487 . . . . 0.0 111.322 -172.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.792 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 28.3 tt0 46.89 177.49 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.234 0 O-C-N 125.041 1.463 . . . . 0.0 114.945 159.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 7.1 tp-100 -104.87 -78.52 0.57 Allowed 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 121.143 -0.973 . . . . 0.0 112.684 175.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.2 t -74.75 -50.99 23.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.972 0.415 . . . . 0.0 111.548 -167.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -67.08 -35.7 80.39 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.609 0.719 . . . . 0.0 109.08 -175.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.792 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -59.52 -52.91 63.56 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.718 -1.128 . . . . 0.0 111.125 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 33' ' ' GLN . 13.9 mtp85 -61.64 -31.52 71.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.132 -177.141 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.6 m -67.64 -32.49 73.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.204 0.526 . . . . 0.0 110.397 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -96.81 -62.18 1.3 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.809 179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.421 ' CH2' ' HA ' ' A' ' 26' ' ' GLN . 79.4 t90 -61.47 -46.25 90.82 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.291 -175.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.45 -19.69 45.51 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -175.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.76 -48.62 75.16 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.34 -33.58 64.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.792 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 54.8 t90 -57.55 -52.51 65.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.189 0.518 . . . . 0.0 110.334 177.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -64.25 -38.05 89.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.517 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -62.86 -57.52 10.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.814 0.34 . . . . 0.0 110.77 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.464 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . . . -55.82 -43.51 77.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.796 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.515 ' O ' ' HB2' ' A' ' 52' ' ' GLN . 5.3 tpt180 -64.69 -60.19 3.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.747 -177.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -64.88 -20.95 66.7 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -170.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -90.85 -35.53 14.73 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.233 0.539 . . . . 0.0 109.759 -173.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -90.1 -8.42 51.42 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.515 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 16.5 tm0? -96.14 -63.67 1.13 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.162 -1.381 . . . . 0.0 110.208 178.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.6 m -89.94 5.68 45.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.59 -174.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.12 -25.55 66.47 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.053 176.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.6 pp -113.02 19.66 17.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.854 0.359 . . . . 0.0 111.041 177.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -75.1 54.56 0.69 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.641 0.734 . . . . 0.0 109.699 177.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -169.97 -37.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.14 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.474 ' HG ' ' N ' ' A' ' 59' ' ' GLU . 58.7 tp -162.44 170.3 18.97 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.474 ' N ' ' HG ' ' A' ' 58' ' ' LEU . 33.3 tt0 -61.05 -36.92 80.87 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 123.405 0.441 . . . . 0.0 111.372 -177.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 48.8 m170 . . . . . 0 C--N 1.322 -0.615 0 CA-C-O 121.094 0.473 . . . . 0.0 111.384 -175.256 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.1 mtt . . . . . 0 N--CA 1.482 1.141 0 CA-C-O 120.892 0.377 . . . . 0.0 111.364 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? -145.13 159.41 43.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.851 176.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 70.83 89.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.84 0.713 . . . . 0.0 111.834 177.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.475 ' HB2' ' HB3' ' A' ' 7' ' ' ASP . 0.3 OUTLIER -129.38 104.02 7.25 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 170.347 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.8 pttm -74.27 -31.2 62.44 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.715 0.293 . . . . 0.0 111.452 -173.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -83.86 -36.16 23.64 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -177.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.475 ' HB3' ' HB2' ' A' ' 4' ' ' GLN . 20.4 t70 -59.11 -46.59 87.92 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 121.653 0.74 . . . . 0.0 109.436 173.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -51.01 -42.78 60.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.155 -1.384 . . . . 0.0 111.258 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.7 mt -81.32 -41.16 22.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.804 -178.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.21 -25.55 64.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.059 0.457 . . . . 0.0 110.446 -178.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -83.35 -28.22 29.14 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 176.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.49 -27.02 68.99 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.171 171.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -69.93 -41.39 74.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.044 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.0 m -71.14 -40.11 71.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.212 175.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.43 -48.31 73.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.637 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.47 ' HA2' ' HB3' ' A' ' 19' ' ' ALA . . . -57.55 -32.6 65.06 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 112.115 178.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.436 ' CD1' ' HB2' ' A' ' 47' ' ' ALA . 34.7 t80 -59.97 -53.51 56.95 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 176.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -70.34 -20.79 62.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.066 0.46 . . . . 0.0 110.365 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.475 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -80.68 -18.98 46.25 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.178 0.513 . . . . 0.0 110.725 -177.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.0 -24.27 74.26 Favored Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.17 -1.014 . . . . 0.0 110.907 172.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.849 HD21 ' HB1' ' A' ' 47' ' ' ALA . 0.8 OUTLIER -93.87 -53.77 3.87 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.599 0.714 . . . . 0.0 109.404 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -101.01 -31.9 10.88 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.617 -173.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -71.49 -11.09 71.79 Favored Glycine 0 CA--C 1.505 -0.587 0 C-N-CA 120.043 -1.075 . . . . 0.0 110.853 -176.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.2 ttt180 61.58 -72.73 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 114.6 -0.8 . . . . 0.0 112.23 -178.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 73.7 m -105.56 175.37 5.52 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.282 0.563 . . . . 0.0 112.014 -173.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.406 HE21 HD21 ' A' ' 41' ' ' LEU . 25.7 mt-30 -81.2 -13.26 58.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.21 177.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.54 -16.61 56.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 114.756 -1.111 . . . . 0.0 110.735 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.557 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -85.51 25.23 1.07 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.741 -177.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 45.9 t -108.4 85.99 3.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.787 0.327 . . . . 0.0 110.546 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.557 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 34.7 Cg_endo -94.35 31.51 0.22 Allowed 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.289 2.66 . . . . 0.0 113.683 -177.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -107.01 -71.67 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.377 -0.529 . . . . 0.0 112.108 -174.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.603 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 32.2 tt0 -149.35 177.56 9.57 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -172.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.503 ' O ' ' HB2' ' A' ' 37' ' ' ARG . 15.9 mm100 -101.26 -76.85 0.56 Allowed 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.143 -0.623 . . . . 0.0 112.464 -179.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.2 t -66.13 -55.15 20.31 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 CA-C-O 121.438 0.637 . . . . 0.0 111.421 -173.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.79 -35.51 77.11 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.836 -175.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.603 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -68.91 -38.29 79.48 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.637 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.503 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 9.8 ttt180 -57.86 -41.43 82.41 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.2 m -67.94 -44.87 75.79 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.646 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -81.16 -55.3 4.84 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -176.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -69.54 -47.31 64.13 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.458 -172.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.496 ' O ' ' HG3' ' A' ' 45' ' ' ARG . 0.5 OUTLIER -74.32 -25.16 59.39 Favored 'General case' 0 N--CA 1.461 0.09 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.54 -174.587 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.53 -51.41 56.34 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.572 -0.823 . . . . 0.0 111.692 177.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.43 -30.0 69.47 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.882 177.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -59.43 -49.15 78.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.863 0.363 . . . . 0.0 110.64 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 41' ' ' LEU . 16.7 mtm180 -66.17 -45.42 80.96 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.498 179.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -56.59 -56.71 17.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.987 -177.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.849 ' HB1' HD21 ' A' ' 21' ' ' LEU . . . -57.59 -45.14 85.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.309 -178.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -49.3 78.21 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 178.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -66.84 -20.02 65.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.7 -175.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -95.48 -23.94 16.88 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.596 0.712 . . . . 0.0 109.789 -176.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -81.64 -23.23 37.08 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 174.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -88.76 -41.4 12.56 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 113.656 -1.611 . . . . 0.0 111.517 -175.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.0 m -98.6 -0.73 42.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.794 0.33 . . . . 0.0 110.871 -178.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.21 -17.99 66.63 Favored Glycine 0 C--N 1.333 0.387 0 CA-C-N 116.043 -0.526 . . . . 0.0 113.822 -173.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.7 -44.4 81.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 178.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 65.1 t80 44.46 76.01 0.09 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.13 -0.941 . . . . 0.0 112.076 -177.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -121.02 24.48 10.14 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.96 174.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.07 -70.23 0.25 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 177.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 50.27 94.04 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 177.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 64.8 t60 . . . . . 0 C--N 1.319 -0.719 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 174.09 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -171.42 -81.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.095 0.247 . . . . 0.0 110.392 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 3' ' ' ARG . 30.4 mtt180 -116.93 10.91 14.21 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -63.47 -29.26 70.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.157 0.503 . . . . 0.0 110.428 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -66.25 -19.79 65.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.476 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -93.52 -41.41 9.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.974 175.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 27.9 m-20 -55.93 -42.5 76.22 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.413 -179.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -58.66 -26.97 64.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.685 178.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.568 HD11 ' HB3' ' A' ' 35' ' ' ASP . 78.2 mt -94.52 -26.42 16.44 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.213 -177.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -66.05 -35.43 80.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.793 0.806 . . . . 0.0 108.875 173.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 7' ' ' ASP . 16.5 mtm180 -82.64 -33.46 27.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.689 178.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.454 ' HB3' ' HA ' ' A' ' 9' ' ' LEU . . . -63.37 -34.06 76.89 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 120.995 0.426 . . . . 0.0 110.242 173.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -64.22 -47.21 80.58 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.488 0.661 . . . . 0.0 109.705 178.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.3 m -71.24 -42.02 69.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.34 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -63.12 -41.92 99.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.553 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.22 -40.6 97.54 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.284 -0.484 . . . . 0.0 112.026 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.401 ' O ' HD22 ' A' ' 21' ' ' LEU . 80.3 t80 -61.34 -50.85 71.25 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 177.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -63.31 -36.35 83.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.319 178.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.453 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -67.03 -23.32 65.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.95 0.405 . . . . 0.0 111.014 178.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.33 -42.3 99.23 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.602 -0.808 . . . . 0.0 111.349 174.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.401 HD22 ' O ' ' A' ' 17' ' ' TYR . 1.0 OUTLIER -86.1 -55.96 3.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.488 0.661 . . . . 0.0 110.485 178.744 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.24 -33.61 14.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.191 -0.913 . . . . 0.0 112.493 -170.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.453 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -77.46 -17.05 79.67 Favored Glycine 0 CA--C 1.512 -0.111 0 C-N-CA 120.224 -0.989 . . . . 0.0 112.391 -172.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 66.34 -73.95 0.07 Allowed 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 123.506 0.722 . . . . 0.0 112.087 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.0 m -99.85 169.36 9.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.295 0.569 . . . . 0.0 111.928 -172.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.49 ' HA ' ' CH2' ' A' ' 40' ' ' TRP . 12.5 mt-30 -79.91 -6.95 58.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.827 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -63.18 -19.15 64.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.184 175.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.429 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -82.31 26.88 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.705 -176.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 40.7 t -112.51 81.69 4.29 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-O 121.007 0.432 . . . . 0.0 110.799 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 38.5 Cg_endo -92.6 36.8 0.23 Allowed 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 123.336 2.69 . . . . 0.0 113.716 -178.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -112.76 -59.16 2.05 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -173.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.627 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 6.8 tp60 -160.49 177.4 10.58 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -174.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.454 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 15.9 mm100 -98.16 -77.15 0.51 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 118.443 0.565 . . . . 0.0 112.108 178.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.6 t -73.2 -48.85 41.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.022 0.439 . . . . 0.0 110.632 -172.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.568 ' HB3' HD11 ' A' ' 9' ' ' LEU . 2.8 m-20 -58.42 -54.35 47.98 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-O 122.24 1.019 . . . . 0.0 108.862 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.627 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -56.74 -55.48 33.62 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.363 -176.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.63 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 99.3 mtt180 -61.19 -25.53 67.1 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -174.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.7 m -71.17 -35.68 71.72 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.349 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -94.16 -53.14 4.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.079 0.466 . . . . 0.0 111.921 176.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.49 ' CH2' ' HA ' ' A' ' 26' ' ' GLN . 66.0 t90 -60.33 -47.05 87.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.639 -174.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.63 ' HB2' ' O ' ' A' ' 37' ' ' ARG . 2.2 mt -71.92 -16.19 62.11 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.75 0.31 . . . . 0.0 110.915 -177.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.19 -52.26 33.16 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 175.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.99 -36.03 92.59 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.392 176.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -58.12 -49.6 76.41 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.08 0.466 . . . . 0.0 110.26 179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 62.4 mtm180 -65.95 -38.02 87.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.592 177.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -62.3 -48.18 81.02 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.648 -177.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.96 -49.49 76.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.069 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 48' ' ' ARG . 5.8 mmt180 -56.68 -51.18 69.75 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.708 179.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.608 ' HA ' ' HB2' ' A' ' 52' ' ' GLN . 31.1 t70 -71.74 -13.34 61.69 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -175.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -84.81 -34.98 22.63 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -177.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -85.44 -18.99 32.0 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.608 ' HB2' ' HA ' ' A' ' 49' ' ' ASP . 23.9 mm-40 -76.97 -48.24 18.59 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 113.714 -1.585 . . . . 0.0 110.643 175.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.4 m -71.8 -18.59 62.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.519 177.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.551 ' O ' ' HG ' ' A' ' 58' ' ' LEU . . . -88.52 2.91 85.13 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.177 176.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.8 tp 72.9 -59.06 0.58 Allowed 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 123.881 0.872 . . . . 0.0 111.199 174.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -146.21 -51.96 0.24 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.408 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -172.19 82.84 0.06 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.791 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 54' ' ' GLY . 79.4 mt -84.96 165.03 17.94 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.557 171.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -129.4 85.73 2.34 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.479 0.657 . . . . 0.0 111.249 -174.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.924 -179.219 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.8 mtp . . . . . 0 N--CA 1.483 1.222 0 CA-C-O 120.555 0.217 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -69.49 -23.62 63.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.007 0.432 . . . . 0.0 110.199 177.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -61.32 -24.78 66.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.186 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -75.32 -8.25 56.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.188 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 8' ' ' ARG . 95.2 mttt -62.96 -35.63 80.78 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 171.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -58.48 -32.12 68.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.97 -177.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -60.46 -57.43 12.78 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 121.554 0.692 . . . . 0.0 110.699 175.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -73.89 -17.75 61.0 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.709 -173.323 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.59 HD11 ' HB3' ' A' ' 35' ' ' ASP . 86.6 mt -86.13 -34.64 20.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.036 176.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -63.38 -38.22 90.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.864 0.84 . . . . 0.0 108.752 174.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 11' ' ' ARG . 47.3 mtm180 -76.3 -34.78 59.06 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.682 -1.145 . . . . 0.0 109.378 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.42 -30.85 71.88 Favored 'General case' 0 CA--C 1.518 -0.275 0 O-C-N 123.743 0.652 . . . . 0.0 110.695 175.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -66.24 -50.88 62.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.216 0.532 . . . . 0.0 109.797 -179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.2 t -69.76 -34.0 73.19 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.016 177.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.504 ' HG2' ' HE2' ' A' ' 31' ' ' TYR . 6.3 tp-100 -67.12 -39.66 86.69 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.702 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -59.78 -42.17 97.91 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.716 177.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -61.6 -48.56 80.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.321 0.582 . . . . 0.0 109.511 177.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -64.16 -36.48 84.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.879 178.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.517 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -67.37 -18.85 65.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.94 -30.57 76.25 Favored Glycine 0 N--CA 1.442 -0.951 0 C-N-CA 120.566 -0.826 . . . . 0.0 111.605 172.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -96.49 -51.48 4.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.408 0.623 . . . . 0.0 110.091 178.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -96.45 -34.03 11.66 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.164 -0.926 . . . . 0.0 113.033 -171.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.517 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -83.66 -18.66 63.35 Favored Glycine 0 CA--C 1.506 -0.469 0 C-N-CA 120.009 -1.091 . . . . 0.0 111.532 -171.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 61.14 -79.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.427 -0.887 . . . . 0.0 112.45 -176.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.0 m -89.91 166.59 13.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.262 0.553 . . . . 0.0 111.404 -172.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.509 ' HB3' HD21 ' A' ' 41' ' ' LEU . 9.1 mt-30 -82.67 -12.67 57.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.445 177.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -73.08 -6.71 47.41 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.913 -1.04 . . . . 0.0 110.198 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.671 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -89.73 24.92 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.76 178.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.8 t -101.09 92.98 2.75 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.312 178.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.671 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 40.3 Cg_endo -94.82 -9.1 1.5 Allowed 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.419 2.746 . . . . 0.0 115.329 -175.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.504 ' HE2' ' HG2' ' A' ' 15' ' ' GLN . 89.9 m-85 -64.34 -51.98 60.71 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -172.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.657 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 6.7 tp60 -166.1 176.47 7.66 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 -173.009 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.497 ' O ' ' HD2' ' A' ' 37' ' ' ARG . 8.6 pt20 -98.05 -75.75 0.54 Allowed 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 119.273 -0.971 . . . . 0.0 112.08 171.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.489 ' H ' ' HG3' ' A' ' 33' ' ' GLN . 60.7 t -69.14 -50.38 53.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 O-C-N 121.705 -0.622 . . . . 0.0 110.776 -170.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.59 ' HB3' HD11 ' A' ' 9' ' ' LEU . 39.8 m-20 -60.93 -49.08 78.89 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.879 0.847 . . . . 0.0 109.101 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.657 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -61.21 -55.25 34.27 Favored 'General case' 0 C--O 1.21 -1.019 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.862 -175.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.623 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 2.2 mpt_? -64.96 -22.19 66.96 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 119.984 -0.687 . . . . 0.0 111.387 -173.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 m -68.2 -38.51 82.05 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 176.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -91.85 -52.14 4.88 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.207 0.527 . . . . 0.0 112.361 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.429 ' CH2' ' HA ' ' A' ' 26' ' ' GLN . 66.7 t90 -61.6 -49.78 75.25 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.403 -174.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.623 ' HB2' ' O ' ' A' ' 37' ' ' ARG . 11.8 mt -72.22 -24.42 61.39 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.995 -177.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.37 -45.16 91.81 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.62 176.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.47 -27.37 65.7 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.871 -0.68 . . . . 0.0 111.912 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.449 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 63.5 t90 -63.85 -52.85 58.18 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.033 0.444 . . . . 0.0 110.234 178.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 52.2 mtt180 -66.33 -35.65 80.9 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.466 178.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -56.2 -50.76 70.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.182 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.72 -39.59 77.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.431 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 44' ' ' TRP . 39.3 mmt180 -57.59 -56.67 18.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.437 -176.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.61 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 3.3 p-10 -93.28 1.08 57.16 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.461 -171.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -83.91 -33.04 24.81 Favored 'General case' 0 CA--C 1.511 -0.54 0 N-CA-C 108.266 -1.012 . . . . 0.0 108.266 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.452 ' HE2' ' HB3' ' A' ' 51' ' ' LYS . 49.3 mtpt -88.44 -22.39 23.73 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 175.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.61 ' CB ' ' HA ' ' A' ' 49' ' ' ASP . 5.1 tt0 -74.57 -18.32 60.6 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 114.433 -1.258 . . . . 0.0 109.657 177.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.453 ' HB3' ' HG ' ' A' ' 58' ' ' LEU . 51.4 m -60.51 -23.43 64.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.154 169.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -71.78 -12.57 74.57 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.102 -0.571 . . . . 0.0 112.341 178.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.0 tp -92.2 -76.1 0.47 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 177.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -169.27 25.33 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.427 0.632 . . . . 0.0 109.928 -177.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -130.97 60.45 1.65 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.927 -176.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.453 ' HG ' ' HB3' ' A' ' 53' ' ' SER . 5.2 mp -80.23 -89.95 0.06 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.955 179.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 49.0 -126.92 2.07 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 123.637 0.585 . . . . 0.0 111.406 -178.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 72.5 m80 . . . . . 0 C--N 1.326 -0.421 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.32 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.432 ' HG3' ' HG3' ' A' ' 2' ' ' LYS . 12.8 tpt . . . . . 0 N--CA 1.48 1.061 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.432 ' HG3' ' HG3' ' A' ' 1' ' ' MET . 54.7 mtmt 61.05 41.2 14.17 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.196 0.522 . . . . 0.0 110.666 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -138.61 25.09 2.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.298 -177.826 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.445 ' HB2' ' HB2' ' A' ' 7' ' ' ASP . 1.1 mp0 -64.98 125.27 24.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.212 -178.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -72.07 -27.13 62.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 112.152 -174.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 6' ' ' ARG . 18.9 ttp85 -84.3 -32.35 24.4 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.986 176.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.445 ' HB2' ' HB2' ' A' ' 4' ' ' GLN . 19.1 t70 -59.2 -52.76 64.31 Favored 'General case' 0 CA--C 1.512 -0.501 0 CA-C-O 121.356 0.598 . . . . 0.0 110.397 179.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.8 ptm85 -63.52 -27.21 69.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.717 -175.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.491 ' CD1' ' HB3' ' A' ' 35' ' ' ASP . 37.5 mt -92.1 -33.58 14.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.731 -177.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -69.11 -26.41 64.9 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 172.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -73.16 -42.54 62.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.583 -1.19 . . . . 0.0 108.47 174.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.569 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -61.57 -31.05 71.07 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.633 174.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -64.97 -50.45 66.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.038 0.447 . . . . 0.0 109.916 177.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.9 t -67.45 -39.02 85.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.358 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.32 -46.09 85.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.899 -0.592 . . . . 0.0 109.46 178.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -60.05 -38.78 94.8 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.449 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -62.66 -41.19 98.92 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -69.48 -28.29 65.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.1 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.22 -23.67 54.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.763 -177.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.37 -24.61 76.01 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.463 -0.875 . . . . 0.0 111.547 174.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.77 -55.12 2.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.602 0.715 . . . . 0.0 109.509 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.06 -33.45 14.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.235 -173.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.82 -19.92 78.48 Favored Glycine 0 CA--C 1.509 -0.304 0 C-N-CA 120.286 -0.959 . . . . 0.0 112.027 -171.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 67.99 -59.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 123.633 0.773 . . . . 0.0 112.273 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.2 m -116.48 173.75 6.44 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.379 -172.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -88.57 -10.09 49.98 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.613 0.72 . . . . 0.0 109.41 178.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -66.53 -9.53 35.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.948 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.658 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -99.14 30.5 3.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.468 -177.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 41.0 t -101.95 93.97 4.15 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.686 0.279 . . . . 0.0 110.893 178.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.658 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 42.3 Cg_endo -96.49 22.96 0.35 Allowed 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 123.365 2.71 . . . . 0.0 113.333 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -97.45 -73.5 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.527 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 1.7 tt0 -148.55 -175.66 5.01 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -172.052 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.569 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 95.8 mt-30 -101.11 -78.25 0.53 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.028 0.442 . . . . 0.0 111.867 178.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.9 t -75.56 -48.56 29.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.401 0.619 . . . . 0.0 110.451 -175.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.491 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 7.9 m-20 -62.98 -37.16 86.0 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.767 -178.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.527 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -71.03 -30.76 67.05 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.215 -178.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.597 ' HA ' ' HB2' ' A' ' 41' ' ' LEU . 99.2 mtt180 -60.62 -48.89 79.79 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.2 -0.6 . . . . 0.0 109.489 174.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.5 t -61.84 -40.08 94.05 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.534 -174.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.431 ' CD1' ' HB3' ' A' ' 9' ' ' LEU . 84.9 m-85 -93.81 -67.33 0.86 Allowed 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.65 -178.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.569 ' HB2' ' HB1' ' A' ' 12' ' ' ALA . 68.1 t90 -61.96 -47.09 86.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.463 -173.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.597 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 0.9 OUTLIER -77.33 -28.28 53.06 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -174.122 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.2 -46.39 91.06 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.559 174.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.01 -38.41 92.71 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.646 175.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -58.67 -53.71 55.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.321 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -62.02 -44.43 96.73 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.319 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -55.53 -52.97 61.91 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.304 0.378 . . . . 0.0 110.325 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.1 -44.43 97.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.107 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.75 -56.6 9.76 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.72 -176.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -64.23 -18.32 64.42 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.786 0.327 . . . . 0.0 111.701 -176.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -77.8 -47.44 18.91 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-O 121.778 0.799 . . . . 0.0 109.524 -178.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -85.58 -14.82 44.58 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 -175.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -72.94 -42.08 63.81 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 113.638 -1.619 . . . . 0.0 109.502 174.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.3 m -74.33 -23.46 59.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.236 175.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -67.59 -37.75 89.75 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.999 -0.619 . . . . 0.0 111.753 176.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 33.0 tp -81.76 -37.66 26.87 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 175.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 7.9 t80 62.08 21.0 12.07 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 114.946 -1.025 . . . . 0.0 111.598 173.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -143.54 61.67 1.38 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.995 0.902 . . . . 0.0 109.395 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.7 pp -73.93 -40.58 63.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.724 -1.125 . . . . 0.0 111.563 -177.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -41.57 117.11 0.86 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.045 -1.434 . . . . 0.0 112.737 -178.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 36.8 m80 . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.941 174.864 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -83.2 -178.6 7.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.618 -176.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 72.57 -57.31 0.63 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.101 0.96 . . . . 0.0 110.392 -178.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.491 ' O ' ' HB2' ' A' ' 7' ' ' ASP . 24.6 mt-30 -84.67 4.93 30.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.843 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.9 tttp -66.63 -39.33 88.23 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.723 -174.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 46.2 ttm-85 -74.68 -22.33 58.92 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.271 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.491 ' HB2' ' O ' ' A' ' 4' ' ' GLN . 1.3 m-20 -55.17 -59.87 4.17 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.815 0.34 . . . . 0.0 111.003 178.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -64.87 -32.41 74.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.627 -177.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.401 HD11 ' HB3' ' A' ' 35' ' ' ASP . 41.3 mt -78.14 -34.82 49.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.639 0.257 . . . . 0.0 111.454 -178.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -69.19 -30.29 68.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.054 0.454 . . . . 0.0 110.031 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -80.61 -30.14 36.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.433 ' O ' ' HA ' ' A' ' 40' ' ' TRP . . . -61.0 -32.37 71.95 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.64 171.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -64.67 -48.28 75.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.853 178.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.3 m -64.58 -40.01 94.77 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.53 177.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.427 ' HG2' ' HE2' ' A' ' 31' ' ' TYR . 5.9 tp-100 -59.92 -45.5 92.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.177 177.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.506 ' HA3' ' O ' ' A' ' 40' ' ' TRP . . . -61.09 -33.14 83.0 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.104 178.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -63.1 -46.46 87.25 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 177.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -70.99 -21.3 62.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.311 0.577 . . . . 0.0 109.942 176.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.59 -20.54 53.82 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.877 179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.93 -12.38 81.28 Favored Glycine 0 N--CA 1.442 -0.916 0 C-N-CA 120.342 -0.932 . . . . 0.0 111.404 173.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.1 mt -100.22 -54.33 2.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.723 0.773 . . . . 0.0 109.169 177.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -100.52 -34.91 9.72 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.437 -1.256 . . . . 0.0 112.293 -174.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.58 -19.53 73.46 Favored Glycine 0 CA--C 1.509 -0.311 0 C-N-CA 120.284 -0.96 . . . . 0.0 112.16 -169.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 24' ' ' ARG . 19.5 ttm-85 67.31 -67.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 123.645 0.778 . . . . 0.0 112.671 179.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.7 m -110.22 173.99 6.07 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -169.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -78.47 -14.37 59.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.692 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -57.27 -21.64 35.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.833 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.624 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -89.35 26.94 1.54 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.151 -173.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 47.2 t -107.51 88.52 4.21 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-O 120.814 0.34 . . . . 0.0 111.201 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.624 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 31.2 Cg_endo -99.14 32.75 0.11 Allowed 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 123.519 2.812 . . . . 0.0 114.284 -178.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.427 ' HE2' ' HG2' ' A' ' 15' ' ' GLN . 33.0 m-85 -109.05 -36.73 6.0 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -174.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.709 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -179.62 177.24 0.73 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 -174.785 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.439 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 30.4 mm-40 -101.02 -77.04 0.55 Allowed 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 118.732 0.696 . . . . 0.0 112.328 176.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.6 t -66.13 -54.95 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.141 0.495 . . . . 0.0 111.424 -172.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.401 ' HB3' HD11 ' A' ' 9' ' ' LEU . 12.5 m-20 -68.77 -39.64 80.14 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.838 -174.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.709 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -63.45 -46.98 83.77 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 114.944 -1.026 . . . . 0.0 110.617 179.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -60.17 -36.93 78.7 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.006 -176.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.0 p -70.64 -31.39 68.31 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.248 -177.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -96.08 -55.75 2.87 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.386 -0.526 . . . . 0.0 112.176 178.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.506 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 85.6 t90 -59.84 -50.76 72.52 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 123.135 0.574 . . . . 0.0 110.953 -176.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.536 HD23 ' HG3' ' A' ' 45' ' ' ARG . 1.4 tt -76.13 -15.44 60.08 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -176.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.51 -44.31 97.77 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 173.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.23 -31.29 57.54 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.788 175.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -58.57 -52.24 66.48 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.025 0.441 . . . . 0.0 110.305 177.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.536 ' HG3' HD23 ' A' ' 41' ' ' LEU . 37.2 mtp-105 -61.55 -44.12 97.62 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.386 175.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -53.39 -48.21 68.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.952 -176.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.6 -53.79 54.4 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 178.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.3 mtp-105 -60.33 -52.81 63.69 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.238 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.619 ' HA ' ' HB2' ' A' ' 52' ' ' GLN . 1.3 m-20 -64.46 -12.27 41.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.093 -177.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -85.01 -35.38 21.97 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -92.14 -14.2 29.51 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.895 -1.048 . . . . 0.0 108.589 -179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.619 ' HB2' ' HA ' ' A' ' 49' ' ' ASP . 12.8 mm-40 -84.79 -61.41 1.79 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.206 -1.361 . . . . 0.0 111.106 178.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.5 m -66.09 -19.49 65.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.256 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.39 -23.2 77.64 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.611 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.6 mt -88.41 52.31 2.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.035 0.445 . . . . 0.0 111.421 -176.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -73.22 -4.8 35.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.313 0.578 . . . . 0.0 109.77 172.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HE2' ' HB3' ' A' ' 57' ' ' LYS . 30.4 ttpt -93.46 -46.7 7.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.056 -179.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 54.4 tp -68.27 -64.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.351 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -89.66 104.46 17.01 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.021 178.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 . . . . . 0 C--N 1.32 -0.695 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ttt . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 120.324 0.107 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 87.5 tttt 74.17 -55.98 0.65 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.375 0.67 . . . . 0.0 112.044 176.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 57.9 ttp85 -90.88 68.83 6.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.494 0.664 . . . . 0.0 111.069 -175.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.66 ' HB2' ' HB2' ' A' ' 7' ' ' ASP . 76.9 mt-30 -143.43 159.84 41.66 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.031 -0.986 . . . . 0.0 108.449 170.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt -71.65 -37.2 70.84 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.983 -176.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -82.85 -43.52 16.52 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.683 177.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.66 ' HB2' ' HB2' ' A' ' 4' ' ' GLN . 10.8 t70 -44.72 -58.88 2.79 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.658 0.599 . . . . 0.0 111.672 -175.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.7 ptp85 -63.2 -30.59 71.71 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.142 -0.936 . . . . 0.0 111.68 -174.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.498 HD11 ' HB3' ' A' ' 35' ' ' ASP . 96.6 mt -84.38 -31.37 24.77 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.815 0.34 . . . . 0.0 110.725 -178.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -62.51 -32.65 73.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 122.019 0.914 . . . . 0.0 109.408 173.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.499 ' HD3' ' O ' ' A' ' 7' ' ' ASP . 10.0 mpt_? -85.06 -42.14 15.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.794 -1.093 . . . . 0.0 109.447 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -56.64 -36.61 69.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.999 176.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -68.73 -42.64 77.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.199 0.523 . . . . 0.0 110.301 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.1 m -71.77 -38.79 70.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.424 -179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.0 -48.74 67.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.314 177.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.88 -38.1 87.34 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.651 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -60.27 -51.99 67.17 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 177.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.56 -33.23 75.15 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 178.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.58 -17.63 64.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 177.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.401 ' HA3' ' HB3' ' A' ' 47' ' ' ALA . . . -71.58 -41.45 57.39 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.398 -0.906 . . . . 0.0 111.354 174.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -84.34 -47.02 11.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.091 0.472 . . . . 0.0 110.484 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -97.35 -38.08 9.78 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.693 -173.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.48 -21.17 70.18 Favored Glycine 0 C--O 1.233 0.089 0 C-N-CA 120.393 -0.908 . . . . 0.0 111.847 -173.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 69.24 -61.1 0.44 Allowed 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 123.993 0.917 . . . . 0.0 112.459 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 42.4 m -106.42 169.3 8.6 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.182 0.515 . . . . 0.0 112.296 -171.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.403 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 5.6 mt-30 -81.38 -10.28 59.57 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.333 -0.848 . . . . 0.0 109.663 176.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -63.97 -14.39 53.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.802 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.642 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -88.99 21.64 3.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.118 -175.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.3 t -100.9 96.62 5.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 111.091 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.642 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 28.0 Cg_endo -96.52 18.41 0.59 Allowed 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 123.287 2.658 . . . . 0.0 113.794 179.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -96.76 -83.57 0.38 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -173.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.792 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 63.4 tt0 -138.34 177.85 7.57 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 -171.155 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.528 ' O ' ' HB2' ' A' ' 37' ' ' ARG . 36.7 tt0 -99.7 -75.7 0.56 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -175.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.6 t -75.35 -52.87 17.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.314 0.578 . . . . 0.0 111.164 -172.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.498 ' HB3' HD11 ' A' ' 9' ' ' LEU . 29.5 m-20 -67.63 -41.92 83.14 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.308 -174.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.792 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -64.08 -31.19 72.29 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.821 177.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.528 ' HB2' ' O ' ' A' ' 33' ' ' GLN . 49.8 ttt180 -61.15 -47.29 86.88 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 -179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.6 m -69.48 -32.26 71.04 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.447 -177.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.472 ' CG ' ' HB3' ' A' ' 9' ' ' LEU . 47.7 m-85 -92.21 -56.1 3.18 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -177.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.435 ' HB2' ' HB1' ' A' ' 12' ' ' ALA . 65.4 t90 -65.62 -52.53 51.18 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.65 -177.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 tt -72.62 -26.9 61.85 Favored 'General case' 0 C--N 1.334 -0.067 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 -176.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.27 -46.4 94.35 Favored Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 174.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.75 -35.97 61.94 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.991 -0.623 . . . . 0.0 111.817 176.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.5 t90 -59.02 -50.06 75.52 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.979 0.419 . . . . 0.0 110.248 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -24.74 62.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.094 -178.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -64.49 -50.76 66.15 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 174.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.401 ' HB3' ' HA3' ' A' ' 20' ' ' GLY . . . -61.46 -41.13 96.75 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.491 176.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.409 ' HD2' ' HA ' ' A' ' 48' ' ' ARG . 20.3 tpt180 -59.9 -41.41 91.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.038 177.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.563 ' HA ' ' CB ' ' A' ' 52' ' ' GLN . 22.1 t70 -81.98 -4.35 56.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.272 0.558 . . . . 0.0 110.424 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -83.86 -29.99 26.8 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -85.93 -27.51 24.9 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 171.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.563 ' CB ' ' HA ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -73.7 -17.84 61.08 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.315 -1.311 . . . . 0.0 109.026 178.543 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.8 t -73.46 -10.13 59.41 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.118 175.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.478 ' O ' ' HB2' ' A' ' 58' ' ' LEU . . . -77.45 0.21 70.18 Favored Glycine 0 N--CA 1.45 -0.391 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 175.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.417 ' HB2' HD13 ' A' ' 58' ' ' LEU . 76.6 mt 69.46 3.57 4.24 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.641 0.776 . . . . 0.0 111.681 175.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 51.0 t80 68.75 -52.73 0.57 Allowed 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.49 0.716 . . . . 0.0 112.155 178.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -75.49 -16.46 60.3 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.33 -176.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 54' ' ' GLY . 10.7 mp -94.31 -99.06 0.15 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.655 178.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 37.82 52.06 1.41 Allowed 'General case' 0 N--CA 1.473 0.714 0 O-C-N 123.905 0.753 . . . . 0.0 110.728 -175.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 45.1 t60 . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.729 -167.523 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 120.785 0.326 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -95.94 5.18 51.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -177.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.7 mtm180 -82.27 20.95 0.97 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.231 0.539 . . . . 0.0 110.291 177.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.729 HE21 ' HB2' ' A' ' 7' ' ' ASP . 4.1 tp60 -74.96 -0.72 19.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.867 -174.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -63.43 -43.53 97.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.07 0.462 . . . . 0.0 110.797 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 54.1 ttm-85 -76.7 -21.47 55.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.548 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.729 ' HB2' HE21 ' A' ' 4' ' ' GLN . 21.3 t70 -56.61 -49.35 75.21 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.847 0.832 . . . . 0.0 110.029 176.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -60.99 -35.73 77.6 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.087 -1.415 . . . . 0.0 111.089 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.422 ' CD1' ' HB3' ' A' ' 35' ' ' ASP . 43.2 mt -88.51 -30.97 18.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.095 -175.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -69.77 -26.72 64.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.613 0.72 . . . . 0.0 109.319 176.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.5 ttm105 -79.46 -36.06 39.4 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 174.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.41 ' HA ' ' HB3' ' A' ' 15' ' ' GLN . . . -61.8 -29.56 70.23 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.358 173.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -68.84 -45.97 69.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.429 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.2 t -68.96 -36.96 78.52 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 176.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.41 ' HB3' ' HA ' ' A' ' 12' ' ' ALA . 7.0 tp60 -60.32 -43.54 96.28 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.764 175.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 40' ' ' TRP . . . -65.32 -36.87 93.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.345 -0.455 . . . . 0.0 112.347 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -57.63 -51.48 69.35 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 176.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.433 ' HA ' HD23 ' A' ' 21' ' ' LEU . 18.5 tptm -70.8 -25.99 63.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.273 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.457 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -67.78 -18.59 64.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.162 0.506 . . . . 0.0 110.37 177.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.37 -33.77 83.07 Favored Glycine 0 N--CA 1.438 -1.201 0 C-N-CA 120.438 -0.887 . . . . 0.0 111.501 172.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 18' ' ' LYS . 1.1 mm? -91.3 -45.33 8.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.321 0.581 . . . . 0.0 110.031 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.04 -40.13 8.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.798 -171.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.457 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -82.43 -12.48 80.37 Favored Glycine 0 C--O 1.23 -0.125 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.629 -169.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.2 ttm-85 68.58 -76.32 0.06 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.196 0.599 . . . . 0.0 112.143 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.2 m -113.08 176.24 5.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.023 0.439 . . . . 0.0 111.9 -171.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.498 ' HG2' HD21 ' A' ' 41' ' ' LEU . 13.9 mt-30 -76.36 -20.85 56.8 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.042 177.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -60.0 -22.62 62.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.918 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.533 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -84.54 28.4 0.66 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.671 -176.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 53.7 t -107.55 93.19 9.62 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.768 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.533 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 63.4 Cg_endo -92.34 57.9 0.69 Allowed 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 123.205 2.604 . . . . 0.0 112.554 178.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -132.01 -71.62 0.54 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -176.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.507 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 6.4 tp-100 -156.13 179.21 9.44 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 -174.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.408 ' N ' ' HG3' ' A' ' 32' ' ' GLN . 99.6 mt-30 -100.08 -77.15 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 176.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 46.2 t -68.65 -50.13 58.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 121.221 0.534 . . . . 0.0 111.128 -173.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.422 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 5.7 m-20 -64.01 -40.87 97.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.638 0.733 . . . . 0.0 109.73 -177.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.507 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -70.4 -34.35 72.44 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.954 -179.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.685 ' O ' ' HB2' ' A' ' 41' ' ' LEU . 17.9 ttt180 -56.5 -49.52 74.47 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 176.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.9 m -67.12 -39.07 86.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.059 -173.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -93.71 -57.88 2.43 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -176.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.443 ' CZ3' ' HA ' ' A' ' 26' ' ' GLN . 83.8 t90 -63.74 -43.63 95.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.669 -0.241 . . . . 0.0 110.712 -175.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.685 ' HB2' ' O ' ' A' ' 37' ' ' ARG . 17.2 mt -78.68 -17.88 55.26 Favored 'General case' 0 CA--C 1.511 -0.524 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.909 -178.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.62 -46.29 94.03 Favored Glycine 0 N--CA 1.44 -1.084 0 C-N-CA 120.402 -0.904 . . . . 0.0 111.571 176.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -73.99 -34.61 55.4 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.828 176.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -62.08 -49.57 75.41 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.928 0.394 . . . . 0.0 110.694 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -71.48 -29.21 64.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.166 -178.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -65.27 -47.99 74.78 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.064 -0.346 . . . . 0.0 110.064 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.92 89.63 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.284 176.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.9 mmt-85 -59.56 -60.72 3.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.871 175.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.466 ' HA ' ' HB2' ' A' ' 52' ' ' GLN . 16.1 m-20 -59.48 -20.57 56.27 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -176.095 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -85.86 -32.41 21.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.327 0.584 . . . . 0.0 109.469 -174.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -85.77 -22.55 27.65 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 176.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.653 ' HA ' HD23 ' A' ' 55' ' ' LEU . 39.8 mm-40 -81.45 -18.77 44.14 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.583 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 74.7 m -68.67 -5.29 19.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.168 176.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -100.59 -4.27 54.82 Favored Glycine 0 CA--C 1.52 0.367 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.653 HD23 ' HA ' ' A' ' 52' ' ' GLN . 4.2 mm? -92.0 26.02 2.61 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -175.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -77.9 27.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.199 0.523 . . . . 0.0 110.5 176.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.469 ' H ' ' C ' ' A' ' 55' ' ' LEU . 20.9 ttmm -76.05 0.12 19.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.371 -177.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.2 mt -66.56 -67.81 0.42 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.695 -177.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.3 -30.68 10.48 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.825 -176.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 55.0 m80 . . . . . 0 C--N 1.323 -0.576 0 CA-C-O 121.232 0.539 . . . . 0.0 110.242 175.765 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.5 mtm . . . . . 0 N--CA 1.482 1.135 0 N-CA-C 111.616 0.228 . . . . 0.0 111.616 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 2' ' ' LYS . 57.4 tttp 60.84 43.41 12.0 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.375 0.607 . . . . 0.0 111.233 172.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.493 ' HG3' ' N ' ' A' ' 4' ' ' GLN . 21.2 ptt180 -90.29 -54.31 4.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.789 -0.57 . . . . 0.0 112.463 -175.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.493 ' N ' ' HG3' ' A' ' 3' ' ' ARG . 53.9 mt-30 -138.86 95.95 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.04 0.448 . . . . 0.0 111.999 -170.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -109.51 -76.97 0.6 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.314 0.578 . . . . 0.0 110.616 172.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -62.85 -24.99 68.06 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.641 -176.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.488 ' OD1' ' HA ' ' A' ' 4' ' ' GLN . 3.4 m-20 -54.28 -73.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.288 -174.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 8' ' ' ARG . 20.3 ptt-85 -69.7 -19.64 63.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.06 0.457 . . . . 0.0 111.056 -174.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 35' ' ' ASP . 42.0 mt -77.91 -41.33 36.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.456 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.486 ' O ' ' HB3' ' A' ' 13' ' ' GLN . 42.6 tt0 -67.51 -28.48 67.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.489 0.661 . . . . 0.0 110.151 178.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -76.48 -33.05 58.68 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.451 176.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.88 -28.07 68.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.271 171.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.486 ' HB3' ' O ' ' A' ' 10' ' ' GLU . 32.3 tt0 -64.03 -49.73 71.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.682 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.2 m -69.0 -33.86 74.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.397 176.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -63.73 -43.37 96.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.459 177.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 40' ' ' TRP . . . -59.77 -41.01 97.38 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.829 -179.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -58.85 -52.62 64.95 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -59.62 -39.03 82.93 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.62 177.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.12 -19.82 65.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.521 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.97 -33.08 65.7 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.401 -0.904 . . . . 0.0 112.139 174.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.417 HD11 ' HE2' ' A' ' 51' ' ' LYS . 2.0 mm? -92.33 -38.97 11.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.552 0.692 . . . . 0.0 110.287 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -94.62 -43.51 8.26 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.878 -171.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.14 -17.05 58.3 Favored Glycine 0 CA--C 1.506 -0.501 0 C-N-CA 120.114 -1.041 . . . . 0.0 111.073 -175.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.2 ttp-105 68.1 -57.8 0.47 Allowed 'General case' 0 CA--C 1.537 0.444 0 O-C-N 124.568 0.805 . . . . 0.0 112.402 179.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 63.3 m -102.28 175.82 5.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.105 0.479 . . . . 0.0 111.863 -175.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -86.19 -8.42 57.82 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.664 0.745 . . . . 0.0 109.396 176.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -69.58 -6.54 31.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.578 179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.653 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -88.29 14.36 9.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.549 -178.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 41.4 t -97.52 100.3 7.91 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 120.661 0.267 . . . . 0.0 111.156 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.653 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 29.6 Cg_endo -95.07 14.91 1.18 Allowed 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 123.417 2.745 . . . . 0.0 113.529 176.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -92.1 -90.44 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -172.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.545 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 48.3 tt0 -139.21 -177.68 5.02 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -173.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -100.95 -77.52 0.54 Allowed 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 179.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 88.3 t -65.06 -54.73 25.95 Favored 'Isoleucine or valine' 0 C--O 1.241 0.65 0 CA-C-O 121.373 0.606 . . . . 0.0 111.196 -172.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.459 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 6.2 m-20 -66.07 -43.75 86.47 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.677 -176.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.545 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -64.27 -40.44 95.99 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.391 -178.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.43 ' HA ' ' HB2' ' A' ' 41' ' ' LEU . 42.7 mtm105 -57.61 -41.52 81.42 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.446 176.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.2 m -65.62 -32.47 74.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.828 -175.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -99.97 -59.73 1.66 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.109 0.48 . . . . 0.0 112.036 -178.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.415 ' O ' ' HA3' ' A' ' 16' ' ' GLY . 80.1 t90 -66.03 -47.7 73.53 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.205 -175.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.43 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 1.0 OUTLIER -76.49 -25.46 54.28 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -175.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -60.81 -44.4 98.06 Favored Glycine 0 N--CA 1.447 -0.595 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 174.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -71.38 -39.3 61.83 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.849 177.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 78.7 t90 -57.51 -52.27 66.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.296 0.569 . . . . 0.0 110.38 178.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.22 -31.59 71.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.524 -177.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 19.8 t70 -68.03 -43.61 78.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.394 -177.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.37 -47.56 78.65 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.51 0.671 . . . . 0.0 110.06 175.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -58.54 -46.66 86.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.818 177.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.623 ' HA ' ' HB2' ' A' ' 52' ' ' GLN . 36.1 t70 -66.04 -15.33 62.95 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.099 -178.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 46' ' ' ASP . 14.7 mt-10 -89.62 -25.05 21.49 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.417 ' HE2' HD11 ' A' ' 21' ' ' LEU . 68.7 mttm -88.38 -21.74 24.15 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 173.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.623 ' HB2' ' HA ' ' A' ' 49' ' ' ASP . 9.4 mm100 -84.36 -67.87 0.76 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 113.98 -1.464 . . . . 0.0 111.445 -177.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.5 m -76.28 -13.19 60.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.01 0.433 . . . . 0.0 110.607 -178.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -75.93 -23.81 71.02 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.965 -0.635 . . . . 0.0 111.917 176.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -118.6 -76.49 0.57 Allowed 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.896 -0.152 . . . . 0.0 110.631 176.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 71.1 t80 66.94 -60.81 0.35 Allowed 'General case' 0 N--CA 1.465 0.297 0 O-C-N 124.192 0.933 . . . . 0.0 109.823 -174.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 57' ' ' LYS . 56.3 tttm 176.15 22.15 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.697 -1.138 . . . . 0.0 108.927 174.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.1 mt -92.67 164.58 13.34 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.002 0.43 . . . . 0.0 110.817 -173.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -140.66 -41.48 0.41 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.703 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.1 p80 . . . . . 0 C--N 1.324 -0.505 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 171.623 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 111.492 0.182 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.555 ' O ' ' HB3' ' A' ' 3' ' ' ARG . 87.8 tttt -88.16 92.16 9.05 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.843 -174.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.555 ' HB3' ' O ' ' A' ' 2' ' ' LYS . 11.3 ptt180 171.43 9.92 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.791 0 O-C-N 124.17 0.919 . . . . 0.0 111.111 169.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -81.46 5.11 18.72 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -166.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.557 ' O ' ' HG2' ' A' ' 8' ' ' ARG . 44.2 pttt -66.41 -30.08 70.37 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 170.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 6' ' ' ARG . 0.3 OUTLIER -61.29 -36.19 79.4 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.089 176.301 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.567 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 1.4 m-20 -57.87 -56.16 25.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.634 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' A' ' 5' ' ' LYS . 6.8 ptp180 -63.58 -28.1 69.7 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.44 -178.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.531 HD11 ' HB3' ' A' ' 35' ' ' ASP . 98.0 mt -77.27 -37.28 53.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.493 -178.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -69.82 -28.58 65.82 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.521 0.676 . . . . 0.0 109.543 177.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' A' ' 7' ' ' ASP . 96.5 mtt180 -72.84 -41.51 64.75 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 174.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.574 ' HB1' ' HB2' ' A' ' 40' ' ' TRP . . . -62.77 -29.26 70.57 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.095 174.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -68.79 -42.59 77.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.285 0.564 . . . . 0.0 109.581 178.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.5 t -71.21 -44.42 65.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.97 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 -61.73 -44.19 97.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.68 178.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -57.89 -37.02 83.03 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.019 178.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.402 ' CD1' ' HB2' ' A' ' 47' ' ' ALA . 73.7 t80 -58.53 -52.74 64.36 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 176.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.576 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 83.1 tttt -65.74 -31.31 72.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.929 0.395 . . . . 0.0 110.485 177.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.401 ' HA ' ' H ' ' A' ' 23' ' ' GLY . . . -66.26 -22.39 66.31 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.296 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.1 -31.32 77.4 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.204 176.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -99.82 -49.23 4.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.118 0.485 . . . . 0.0 110.923 178.374 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -101.0 -25.56 14.02 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.656 -170.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.401 ' H ' ' HA ' ' A' ' 19' ' ' ALA . . . -81.63 -15.54 75.55 Favored Glycine 0 CA--C 1.505 -0.591 0 C-N-CA 120.055 -1.069 . . . . 0.0 110.776 -178.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.3 mtp85 59.07 -70.64 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.7 m -106.45 163.48 12.83 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.21 0.528 . . . . 0.0 112.144 -171.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.417 ' HA ' ' CZ3' ' A' ' 40' ' ' TRP . 39.1 mt-30 -74.95 -8.68 57.19 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.064 176.019 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -60.16 -23.6 64.05 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.394 176.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.643 ' O ' ' HD3' ' A' ' 30' ' ' PRO . . . -87.22 31.24 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.048 -173.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.5 t -104.51 90.87 3.59 Favored Pre-proline 0 CA--C 1.532 0.253 0 CA-C-O 120.846 0.355 . . . . 0.0 110.786 178.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.643 ' HD3' ' O ' ' A' ' 28' ' ' ALA . 40.4 Cg_endo -96.45 -8.36 1.06 Allowed 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.065 2.51 . . . . 0.0 115.113 -177.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -76.3 -45.22 33.45 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.778 0.658 . . . . 0.0 112.778 -169.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.707 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 38.0 tp60 -160.31 176.98 11.09 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 -177.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.43 ' H ' ' HG3' ' A' ' 32' ' ' GLN . 26.0 tp60 -101.22 -75.25 0.59 Allowed 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.116 -0.634 . . . . 0.0 112.039 176.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.6 t -74.74 -50.53 25.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 CA-C-O 121.429 0.633 . . . . 0.0 110.618 -174.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.618 ' HB2' ' HG2' ' A' ' 32' ' ' GLN . 7.0 m-20 -63.07 -37.29 86.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.139 -177.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.707 ' HB2' ' HB3' ' A' ' 32' ' ' GLN . . . -72.01 -28.8 63.62 Favored 'General case' 0 C--O 1.216 -0.658 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.886 179.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 37' ' ' ARG . 22.5 ttt180 -59.24 -51.35 70.35 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.308 -0.557 . . . . 0.0 109.857 178.124 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.3 m -69.16 -32.99 72.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.047 -176.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.434 ' CG ' ' HB3' ' A' ' 9' ' ' LEU . 43.6 m-85 -87.65 -63.67 1.27 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -178.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.574 ' HB2' ' HB1' ' A' ' 12' ' ' ALA . 80.0 t90 -64.49 -47.48 78.79 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.238 -174.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 tt -72.95 -25.14 60.92 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -176.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.98 -40.15 95.16 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.462 174.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.91 -33.75 59.61 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.486 174.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 82.3 t90 -59.98 -53.97 51.6 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 177.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -64.61 -28.29 69.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.162 178.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -58.13 -61.61 2.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.182 0.515 . . . . 0.0 109.837 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.402 ' HB2' ' CD1' ' A' ' 17' ' ' TYR . . . -68.1 -37.51 81.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.993 -179.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.6 ' O ' ' HB2' ' A' ' 52' ' ' GLN . 4.7 tpt180 -62.6 -51.68 66.35 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.425 -177.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.47 ' HA ' ' HB3' ' A' ' 52' ' ' GLN . 1.7 m-20 -71.24 -23.67 62.04 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -177.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -74.74 -34.13 62.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.587 0.708 . . . . 0.0 109.285 -176.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -91.53 -11.5 37.2 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.65 ' HA ' HE21 ' A' ' 52' ' ' GLN . 0.0 OUTLIER -78.56 -68.44 0.65 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.497 -1.229 . . . . 0.0 111.045 -178.351 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.8 p -84.72 -27.39 27.02 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.223 -177.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -78.17 -25.15 62.27 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.163 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.2 mt 63.39 9.36 4.05 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.129 0.571 . . . . 0.0 112.121 177.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 76.9 t80 67.23 2.6 2.87 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.317 0.58 . . . . 0.0 111.463 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -109.06 20.67 18.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.565 0.698 . . . . 0.0 109.955 -178.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 pp -70.78 156.08 39.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.79 177.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -67.57 99.4 0.76 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.48 -174.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.465 0.29 0 O-C-N 124.004 0.815 . . . . 0.0 110.42 -179.735 . . . . . . . . 1 1 . 1 stop_ save_